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

C16H11N3O2 — CID 110765336

IUPACN-(2-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3ccccc3C#N)cc2o1
InChIInChI=1S/C16H11N3O2/c1-10-18-14-7-6-11(8-15(14)21-10)16(20)19-13-5-3-2-4-12(13)9-17/h2-8H,1H3,(H,19,20)
InChIKeyJMZPYQANKBTWKN-UHFFFAOYSA-N
MW277.28 g/mol
LogP3.26
Rot. Bonds2

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

N-(2-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide (PubChem CID 110765336) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
PubChem CID110765336
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC NameN-(2-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3ccccc3C#N)cc2o1
InChIInChI=1S/C16H11N3O2/c1-10-18-14-7-6-11(8-15(14)21-10)16(20)19-13-5-3-2-4-12(13)9-17/h2-8H,1H3,(H,19,20)
InChIKeyJMZPYQANKBTWKN-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-(3-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765337
3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide
CID 17226453
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
N-(4-carbamoylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765302
3,4-dichloro-N-(2-cyanophenyl)benzamide
CID 798668
2-methyl-N-(1-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 110765208
2-methyl-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-carboxamide
CID 110765316
N-(2-cyanophenyl)-2-[(6-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
CID 2990604
3-N-(2-cyanophenyl)-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109056947
N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970151
N-(2-cyanophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 23963756
N-(2-cyanophenyl)-4-methyl-3-nitrobenzamide
CID 24710737

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide (CID 110765336) is N-(2-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide is Cc1nc2ccc(C(=O)Nc3ccccc3C#N)cc2o1.
What is the InChIKey of N-(2-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide?
The InChIKey is JMZPYQANKBTWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c1-10-18-14-7-6-11(8-15(14)21-10)16(20)19-13-5-3-2-4-12(13)9-17/h2-8H,1H3,(H,19,20).
What are the key properties of N-(2-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide?
N-(2-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-(2-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 110765336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).