N-butyl-N-methyl-1,3-benzoxazole-5-carboxamide

C13H16N2O2 — CID 110388156

IUPACN-butyl-N-methyl-1,3-benzoxazole-5-carboxamide
SMILESCCCCN(C)C(=O)c1ccc2ocnc2c1
InChIInChI=1S/C13H16N2O2/c1-3-4-7-15(2)13(16)10-5-6-12-11(8-10)14-9-17-12/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyJKDQUSDHUZMAEB-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.70
Rot. Bonds4

About N-butyl-N-methyl-1,3-benzoxazole-5-carboxamide

N-butyl-N-methyl-1,3-benzoxazole-5-carboxamide (PubChem CID 110388156) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-butyl-N-methyl-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-1,3-benzoxazole-5-carboxamide
PubChem CID110388156
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-butyl-N-methyl-1,3-benzoxazole-5-carboxamide
SMILESCCCCN(C)C(=O)c1ccc2ocnc2c1
InChIInChI=1S/C13H16N2O2/c1-3-4-7-15(2)13(16)10-5-6-12-11(8-10)14-9-17-12/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyJKDQUSDHUZMAEB-UHFFFAOYSA-N
XLogP2.70
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-butyl-N-methyl-1,3-benzoxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-4-(diethylamino)-N-methylbenzamide
CID 78796145
2-(1,3-benzoxazole-5-carbonylamino)hexanoic acid
CID 108795182
4-[butyl(methyl)carbamoyl]benzoic acid
CID 43452774
N-butyl-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693378
1-(1,3-benzoxazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione
CID 90363778
5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414824
N-butyl-N-methylpyridine-4-carboxamide;hydrochloride
CID 110756274
1-N-butyl-3-N,3-N-diethyl-1-N-methylbenzene-1,3-dicarboxamide
CID 109055821
4-[butyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 18071644
N-butyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763786
N-butyl-N-methylfuran-3-carboxamide
CID 110855744
N-butyl-2-[4-(dimethylamino)anilino]-N-methylpyridine-4-carboxamide
CID 109175537

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-butyl-N-methyl-1,3-benzoxazole-5-carboxamide (CID 110388156) is N-butyl-N-methyl-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-butyl-N-methyl-1,3-benzoxazole-5-carboxamide is CCCCN(C)C(=O)c1ccc2ocnc2c1.
What is the InChIKey of N-butyl-N-methyl-1,3-benzoxazole-5-carboxamide?
The InChIKey is JKDQUSDHUZMAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-4-7-15(2)13(16)10-5-6-12-11(8-10)14-9-17-12/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of N-butyl-N-methyl-1,3-benzoxazole-5-carboxamide?
N-butyl-N-methyl-1,3-benzoxazole-5-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 110388156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).