N-(4-cyanophenyl)-1,3-oxazole-5-carboxamide

C11H7N3O2 — CID 110864881

IUPACN-(4-cyanophenyl)-1,3-oxazole-5-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cnco2)cc1
InChIInChI=1S/C11H7N3O2/c12-5-8-1-3-9(4-2-8)14-11(15)10-6-13-7-16-10/h1-4,6-7H,(H,14,15)
InChIKeyIQOWJWKJNVHBTC-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.80
Rot. Bonds2

About N-(4-cyanophenyl)-1,3-oxazole-5-carboxamide

N-(4-cyanophenyl)-1,3-oxazole-5-carboxamide (PubChem CID 110864881) has the molecular formula C11H7N3O2 and a molecular weight of 213.20 g/mol. Its IUPAC name is N-(4-cyanophenyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-1,3-oxazole-5-carboxamide
PubChem CID110864881
Molecular FormulaC11H7N3O2
Molecular Weight213.20 g/mol
Exact Mass213.05
IUPAC NameN-(4-cyanophenyl)-1,3-oxazole-5-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cnco2)cc1
InChIInChI=1S/C11H7N3O2/c12-5-8-1-3-9(4-2-8)14-11(15)10-6-13-7-16-10/h1-4,6-7H,(H,14,15)
InChIKeyIQOWJWKJNVHBTC-UHFFFAOYSA-N
XLogP1.80
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-1,3-oxazole-5-carboxamide
CID 96596303
5-acetamido-N-(4-cyanophenyl)furan-2-carboxamide
CID 110700003
5-N-(1,3-benzodioxol-5-yl)-3-N-(4-cyanophenyl)pyridine-3,5-dicarboxamide
CID 109109030
4-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 46799159
N-(4-cyanophenyl)-5-ethyl-1,2-oxazole-3-carboxamide
CID 46246331
N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62958260
N-(4-cyanophenyl)furan-3-carboxamide
CID 24701301
N-(4-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026171
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(4-cyanophenyl)-4-hydrazinylbenzamide
CID 55052706
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
N-[4-[(5-cyano-2-pyridinyl)oxy]phenyl]furan-2-carboxamide
CID 134006943

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-1,3-oxazole-5-carboxamide (CID 110864881) is N-(4-cyanophenyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-1,3-oxazole-5-carboxamide is N#Cc1ccc(NC(=O)c2cnco2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-1,3-oxazole-5-carboxamide?
The InChIKey is IQOWJWKJNVHBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2/c12-5-8-1-3-9(4-2-8)14-11(15)10-6-13-7-16-10/h1-4,6-7H,(H,14,15).
What are the key properties of N-(4-cyanophenyl)-1,3-oxazole-5-carboxamide?
N-(4-cyanophenyl)-1,3-oxazole-5-carboxamide has a molecular weight of 213.20 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 110864881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).