N-(3-cyanophenyl)-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide

C16H11N3O3 — CID 110682519

IUPACN-(3-cyanophenyl)-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccco2)c1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C16H11N3O3/c1-10-14(15(19-22-10)13-6-3-7-21-13)16(20)18-12-5-2-4-11(8-12)9-17/h2-8H,1H3,(H,18,20)
InChIKeyVMMUTYJFOKVRJP-UHFFFAOYSA-N
MW293.28 g/mol
LogP3.37
Rot. Bonds3

About N-(3-cyanophenyl)-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide

N-(3-cyanophenyl)-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 110682519) has the molecular formula C16H11N3O3 and a molecular weight of 293.28 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID110682519
Molecular FormulaC16H11N3O3
Molecular Weight293.28 g/mol
Exact Mass293.08
IUPAC NameN-(3-cyanophenyl)-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccco2)c1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C16H11N3O3/c1-10-14(15(19-22-10)13-6-3-7-21-13)16(20)18-12-5-2-4-11(8-12)9-17/h2-8H,1H3,(H,18,20)
InChIKeyVMMUTYJFOKVRJP-UHFFFAOYSA-N
XLogP3.37
TPSA92.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(3-cyanophenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide
CID 109109078
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375
N-(3-cyanophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 17425777
N-(3-cyanophenyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7816891
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
N-(3-cyanophenyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136669999
N-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 873609
[2-(3-cyanoanilino)-2-oxoethyl] 2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylate
CID 43047019
N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
(2R)-N-(3-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7808581
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7531358

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (CID 110682519) is N-(3-cyanophenyl)-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccco2)c1C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is VMMUTYJFOKVRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3/c1-10-14(15(19-22-10)13-6-3-7-21-13)16(20)18-12-5-2-4-11(8-12)9-17/h2-8H,1H3,(H,18,20).
What are the key properties of N-(3-cyanophenyl)-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(3-cyanophenyl)-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 293.28 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110682519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).