2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazole-5-carbonitrile

C19H14N2O2 — CID 24801560

IUPAC2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazole-5-carbonitrile
SMILESN#Cc1cnc(C(=O)CCc2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C19H14N2O2/c20-12-17-13-21-19(23-17)18(22)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-7,9-10,13H,8,11H2
InChIKeyVFUHTVVDQYOCNI-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.03
Rot. Bonds5

About 2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazole-5-carbonitrile

2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazole-5-carbonitrile (PubChem CID 24801560) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazole-5-carbonitrile.

Molecular Properties

Compound Name2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazole-5-carbonitrile
PubChem CID24801560
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazole-5-carbonitrile
SMILESN#Cc1cnc(C(=O)CCc2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C19H14N2O2/c20-12-17-13-21-19(23-17)18(22)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-7,9-10,13H,8,11H2
InChIKeyVFUHTVVDQYOCNI-UHFFFAOYSA-N
XLogP4.03
TPSA66.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazole-5-carbonitrile?
The IUPAC name of 2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazole-5-carbonitrile (CID 24801560) is 2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazole-5-carbonitrile.
What is the SMILES notation for 2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazole-5-carbonitrile?
The canonical SMILES for 2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazole-5-carbonitrile is N#Cc1cnc(C(=O)CCc2ccc(-c3ccccc3)cc2)o1.
What is the InChIKey of 2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazole-5-carbonitrile?
The InChIKey is VFUHTVVDQYOCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c20-12-17-13-21-19(23-17)18(22)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-7,9-10,13H,8,11H2.
What are the key properties of 2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazole-5-carbonitrile?
2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazole-5-carbonitrile has a molecular weight of 302.33 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazole-5-carbonitrile is sourced from PubChem (CID 24801560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).