Q82225211

[object Object]
Name5-(4-methoxyphenyl)-2-phenyl-1,3-oxazole
WikidataQ82225211
Mol. formulaC16H13NO2
CAS registry number-
Mol. weight251.2805

Representations

Temporary LOTUS idLTS0016404
Name5-(4-methoxyphenyl)-2-phenyl-1,3-oxazole
Canonical SMILESCOc1ccc(-c2cnc(-c3ccccc3)o2)cc1
2D SMILESCOc1ccc(-c2cnc(-c3ccccc3)o2)cc1
IUPAC name5-(4-methoxyphenyl)-2-phenyl-1,3-oxazole
InChIInChI=1S/C16H13NO2/c1-18-14-9-7-12(8-10-14)15-11-17-16(19-15)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyONQKZEWRQOTVRA-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko Frameworkn1cc(oc1-c2ccccc2)-c3ccccc3

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Rutaceae  Vepris  Vepris uguenensis Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
AlkaloidsTyrosine alkaloidsOxazole alkaloids

Molecular Properties

Total atom number32
Heavy atom number19
Bond count21
Number of carbons16
Minimal number of rings3
Maximal number of rings3

Molecular Descriptors

NP-likeness score 1
Alogp3.45
Alogp211.87
Apol 39.5323
Bpol 19.3637
EccentricConnectivityIndexDescriptor 374
FmfDescriptor 0.8947
Fsp3 0.0625
FragmentComplexityDescriptor 814.03
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 0
WienerPathNumber767
Xlogp 3.673
ZagrebIndex 98
TopoPSA 35.26