2-(5-phenyl-1,3-oxazol-2-yl)acetonitrile

C11H8N2O — CID 12639620

IUPAC2-(5-phenyl-1,3-oxazol-2-yl)acetonitrile
SMILESN#CCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C11H8N2O/c12-7-6-11-13-8-10(14-11)9-4-2-1-3-5-9/h1-5,8H,6H2
InChIKeyHQPRFQMTHNXKMD-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.41
Rot. Bonds2

About 2-(5-phenyl-1,3-oxazol-2-yl)acetonitrile

2-(5-phenyl-1,3-oxazol-2-yl)acetonitrile (PubChem CID 12639620) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-(5-phenyl-1,3-oxazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-phenyl-1,3-oxazol-2-yl)acetonitrile
PubChem CID12639620
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name2-(5-phenyl-1,3-oxazol-2-yl)acetonitrile
SMILESN#CCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C11H8N2O/c12-7-6-11-13-8-10(14-11)9-4-2-1-3-5-9/h1-5,8H,6H2
InChIKeyHQPRFQMTHNXKMD-UHFFFAOYSA-N
XLogP2.41
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetonitrile
CID 82397195
2-(3-chloropropyl)-5-phenyl-1,3-oxazole
CID 10353470
5-phenyl-2-[(3,4,5-trifluorophenyl)methyl]-1,3-oxazole
CID 102005963
3-[amino-(5-phenyl-1,3-oxazol-2-yl)amino]propanenitrile
CID 121015215
2-benzyl-5-(4-methylphenyl)-1,3-oxazole
CID 135058309
2-[(3,4-difluorophenyl)methyl]-5-phenyl-1,3-oxazole
CID 102005962
2-[(4-methoxyphenoxy)methyl]-5-phenyl-1,3-oxazole
CID 24961512
5-(4-phenylphenyl)-1,3-oxazol-2-amine
CID 82291590
(2R)-2-amino-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propanoic acid
CID 61142516
2-(naphthalen-1-yloxymethyl)-5-phenyl-1,3-oxazole
CID 9014713
2-(5-tert-butyl-1,3-oxazol-2-yl)acetonitrile
CID 82414888
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyl-1,3-oxazol-2-yl)acetonitrile?
The IUPAC name of 2-(5-phenyl-1,3-oxazol-2-yl)acetonitrile (CID 12639620) is 2-(5-phenyl-1,3-oxazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(5-phenyl-1,3-oxazol-2-yl)acetonitrile?
The canonical SMILES for 2-(5-phenyl-1,3-oxazol-2-yl)acetonitrile is N#CCc1ncc(-c2ccccc2)o1.
What is the InChIKey of 2-(5-phenyl-1,3-oxazol-2-yl)acetonitrile?
The InChIKey is HQPRFQMTHNXKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c12-7-6-11-13-8-10(14-11)9-4-2-1-3-5-9/h1-5,8H,6H2.
What are the key properties of 2-(5-phenyl-1,3-oxazol-2-yl)acetonitrile?
2-(5-phenyl-1,3-oxazol-2-yl)acetonitrile has a molecular weight of 184.20 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyl-1,3-oxazol-2-yl)acetonitrile is sourced from PubChem (CID 12639620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).