N-(4-carbamoylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide

C16H13N3O3 — CID 110765302

IUPACN-(4-carbamoylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2o1
InChIInChI=1S/C16H13N3O3/c1-9-18-13-7-4-11(8-14(13)22-9)16(21)19-12-5-2-10(3-6-12)15(17)20/h2-8H,1H3,(H2,17,20)(H,19,21)
InChIKeyWDDHBZFEXBSKLC-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.49
Rot. Bonds3

About N-(4-carbamoylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide

N-(4-carbamoylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide (PubChem CID 110765302) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
PubChem CID110765302
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC NameN-(4-carbamoylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2o1
InChIInChI=1S/C16H13N3O3/c1-9-18-13-7-4-11(8-14(13)22-9)16(21)19-12-5-2-10(3-6-12)15(17)20/h2-8H,1H3,(H2,17,20)(H,19,21)
InChIKeyWDDHBZFEXBSKLC-UHFFFAOYSA-N
XLogP2.49
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1,3-benzoxazole-6-carboxamide
CID 82490560
N-(3-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765337
ethyl 4-[(2-methyl-1,3-benzoxazole-5-carbonyl)amino]benzoate
CID 110388051
2-methyl-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-carboxamide
CID 110765316
3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 112523584
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
N-(2-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765336
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)benzamide
CID 86921766
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-2-methyl-1,3-benzoxazole-6-carboxamide
CID 155135058
2,2-dimethyl-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]-3-oxopropanoic acid
CID 115163948
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
3-amino-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazine-2-carboxamide
CID 86921862

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide (CID 110765302) is N-(4-carbamoylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide is Cc1nc2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2o1.
What is the InChIKey of N-(4-carbamoylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide?
The InChIKey is WDDHBZFEXBSKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-9-18-13-7-4-11(8-14(13)22-9)16(21)19-12-5-2-10(3-6-12)15(17)20/h2-8H,1H3,(H2,17,20)(H,19,21).
What are the key properties of N-(4-carbamoylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide?
N-(4-carbamoylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 110765302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).