N-methyl-1,2-benzoxazole-3-carboxamide

C9H8N2O2 — CID 10419698

IUPACN-methyl-1,2-benzoxazole-3-carboxamide
SMILESCNC(=O)c1noc2ccccc12
InChIInChI=1S/C9H8N2O2/c1-10-9(12)8-6-4-2-3-5-7(6)13-11-8/h2-5H,1H3,(H,10,12)
InChIKeyAPGYCQVNYDLGJA-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.19
Rot. Bonds1

About N-methyl-1,2-benzoxazole-3-carboxamide

N-methyl-1,2-benzoxazole-3-carboxamide (PubChem CID 10419698) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is N-methyl-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1,2-benzoxazole-3-carboxamide
PubChem CID10419698
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC NameN-methyl-1,2-benzoxazole-3-carboxamide
SMILESCNC(=O)c1noc2ccccc12
InChIInChI=1S/C9H8N2O2/c1-10-9(12)8-6-4-2-3-5-7(6)13-11-8/h2-5H,1H3,(H,10,12)
InChIKeyAPGYCQVNYDLGJA-UHFFFAOYSA-N
XLogP1.19
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-oxazol-3-yl)-1,2-benzoxazole-3-carboxamide
CID 140532901
(2E)-2-(1,2-benzoxazol-3-yl)-2-hydroxyiminoacetic acid
CID 135604901
1-(1,2-benzoxazol-3-yl)-2-bromoethanone;1-(1,2-benzoxazol-3-yl)ethanone
CID 161245986
N'-hydroxy-1,2-benzoxazole-3-carboximidamide
CID 136969995
3-(1,2-benzoxazol-3-yl)-2-cyano-3-oxo-N-phenylpropanamide
CID 54099105
2-[1,2-benzoxazole-3-carbonyl(methyl)amino]ethyl methanesulfonate
CID 10402407
2-(1,2-benzoxazol-3-ylamino)propanoic acid
CID 69119449
4-chloro-N-methylisoquinoline-1-carboxamide
CID 119082800
acetic acid;ethane;3-phenyl-1,2-benzoxazole
CID 143217944
N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1,2-benzoxazole-3-carboxamide
CID 67511565
(2-amino-4-pyridinyl)-(1,2-benzoxazol-3-yl)methanone
CID 167437414
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8985766

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-methyl-1,2-benzoxazole-3-carboxamide (CID 10419698) is N-methyl-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-methyl-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-methyl-1,2-benzoxazole-3-carboxamide is CNC(=O)c1noc2ccccc12.
What is the InChIKey of N-methyl-1,2-benzoxazole-3-carboxamide?
The InChIKey is APGYCQVNYDLGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-10-9(12)8-6-4-2-3-5-7(6)13-11-8/h2-5H,1H3,(H,10,12).
What are the key properties of N-methyl-1,2-benzoxazole-3-carboxamide?
N-methyl-1,2-benzoxazole-3-carboxamide has a molecular weight of 176.17 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 10419698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).