N-(3-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide

C16H11N3O2 — CID 110765337

IUPACN-(3-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3cccc(C#N)c3)cc2o1
InChIInChI=1S/C16H11N3O2/c1-10-18-14-6-5-12(8-15(14)21-10)16(20)19-13-4-2-3-11(7-13)9-17/h2-8H,1H3,(H,19,20)
InChIKeyQZFIQXFURHNBTR-UHFFFAOYSA-N
MW277.28 g/mol
LogP3.26
Rot. Bonds2

About N-(3-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide

N-(3-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide (PubChem CID 110765337) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
PubChem CID110765337
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC NameN-(3-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3cccc(C#N)c3)cc2o1
InChIInChI=1S/C16H11N3O2/c1-10-18-14-6-5-12(8-15(14)21-10)16(20)19-13-4-2-3-11(7-13)9-17/h2-8H,1H3,(H,19,20)
InChIKeyQZFIQXFURHNBTR-UHFFFAOYSA-N
XLogP3.26
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765336
N-(4-carbamoylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765302
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375
methyl 4-[[3-[(3-cyanophenyl)carbamoyl]benzoyl]amino]benzoate
CID 109057740
N-(3-cyanophenyl)-2-methyl-1H-indole-5-carboxamide
CID 110695121
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
N-(3-methoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110388014
3-cyano-N-(5-methyl-3-pyridinyl)benzamide
CID 110727253
1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057633
N-(3-cyanophenyl)-4-iodobenzamide
CID 875242

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide (CID 110765337) is N-(3-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide is Cc1nc2ccc(C(=O)Nc3cccc(C#N)c3)cc2o1.
What is the InChIKey of N-(3-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide?
The InChIKey is QZFIQXFURHNBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c1-10-18-14-6-5-12(8-15(14)21-10)16(20)19-13-4-2-3-11(7-13)9-17/h2-8H,1H3,(H,19,20).
What are the key properties of N-(3-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide?
N-(3-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide has a molecular weight of 277.28 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 110765337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).