4-(5-benzyl-5-phenyl-4H-1,2-oxazol-3-yl)benzonitrile

C23H18N2O — CID 71554495

IUPAC4-(5-benzyl-5-phenyl-4H-1,2-oxazol-3-yl)benzonitrile
SMILESN#Cc1ccc(C2=NOC(Cc3ccccc3)(c3ccccc3)C2)cc1
InChIInChI=1S/C23H18N2O/c24-17-19-11-13-20(14-12-19)22-16-23(26-25-22,21-9-5-2-6-10-21)15-18-7-3-1-4-8-18/h1-14H,15-16H2
InChIKeyAERRDTTYQBQETE-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.82
Rot. Bonds4

About 4-(5-benzyl-5-phenyl-4H-1,2-oxazol-3-yl)benzonitrile

4-(5-benzyl-5-phenyl-4H-1,2-oxazol-3-yl)benzonitrile (PubChem CID 71554495) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-(5-benzyl-5-phenyl-4H-1,2-oxazol-3-yl)benzonitrile.

Molecular Properties

Compound Name4-(5-benzyl-5-phenyl-4H-1,2-oxazol-3-yl)benzonitrile
PubChem CID71554495
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC Name4-(5-benzyl-5-phenyl-4H-1,2-oxazol-3-yl)benzonitrile
SMILESN#Cc1ccc(C2=NOC(Cc3ccccc3)(c3ccccc3)C2)cc1
InChIInChI=1S/C23H18N2O/c24-17-19-11-13-20(14-12-19)22-16-23(26-25-22,21-9-5-2-6-10-21)15-18-7-3-1-4-8-18/h1-14H,15-16H2
InChIKeyAERRDTTYQBQETE-UHFFFAOYSA-N
XLogP4.82
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzonitrile
CID 123829563
4-[(5R)-5-benzyl-4,5-dihydro-1,2-oxazol-3-yl]benzonitrile
CID 71562092
4-[4-(5-phenylpentyl)phenyl]benzonitrile
CID 101022686
3-(4-cyanophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 102725072
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
4-(8-phenyloctyl)benzonitrile
CID 21257462
(14N)benzonitrile
CID 102268532
(5S)-5-(3-chlorophenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole
CID 164668255
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile
CID 155476468
5-methyl-3-(4-methylphenyl)-5-phenyl-4H-1,2-oxazole
CID 58473804
azulene-6-carbonitrile
CID 91533837
(5S)-3,5-bis(4-chlorophenyl)-5-ethyl-4H-1,2-oxazole
CID 102113523

Frequently Asked Questions

What is the IUPAC name of 4-(5-benzyl-5-phenyl-4H-1,2-oxazol-3-yl)benzonitrile?
The IUPAC name of 4-(5-benzyl-5-phenyl-4H-1,2-oxazol-3-yl)benzonitrile (CID 71554495) is 4-(5-benzyl-5-phenyl-4H-1,2-oxazol-3-yl)benzonitrile.
What is the SMILES notation for 4-(5-benzyl-5-phenyl-4H-1,2-oxazol-3-yl)benzonitrile?
The canonical SMILES for 4-(5-benzyl-5-phenyl-4H-1,2-oxazol-3-yl)benzonitrile is N#Cc1ccc(C2=NOC(Cc3ccccc3)(c3ccccc3)C2)cc1.
What is the InChIKey of 4-(5-benzyl-5-phenyl-4H-1,2-oxazol-3-yl)benzonitrile?
The InChIKey is AERRDTTYQBQETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O/c24-17-19-11-13-20(14-12-19)22-16-23(26-25-22,21-9-5-2-6-10-21)15-18-7-3-1-4-8-18/h1-14H,15-16H2.
What are the key properties of 4-(5-benzyl-5-phenyl-4H-1,2-oxazol-3-yl)benzonitrile?
4-(5-benzyl-5-phenyl-4H-1,2-oxazol-3-yl)benzonitrile has a molecular weight of 338.41 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-benzyl-5-phenyl-4H-1,2-oxazol-3-yl)benzonitrile is sourced from PubChem (CID 71554495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).