4-(dimethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide

C17H17N3O3 — CID 110794915

IUPAC4-(dimethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCc2ccc3[nH]c(=O)oc3c2)cc1
InChIInChI=1S/C17H17N3O3/c1-20(2)13-6-4-12(5-7-13)16(21)18-10-11-3-8-14-15(9-11)23-17(22)19-14/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyNYTYJQKCEPUDEX-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.12
Rot. Bonds4

About 4-(dimethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide

4-(dimethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide (PubChem CID 110794915) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide
PubChem CID110794915
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name4-(dimethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCc2ccc3[nH]c(=O)oc3c2)cc1
InChIInChI=1S/C17H17N3O3/c1-20(2)13-6-4-12(5-7-13)16(21)18-10-11-3-8-14-15(9-11)23-17(22)19-14/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyNYTYJQKCEPUDEX-UHFFFAOYSA-N
XLogP2.12
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(dimethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide 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

4-bromo-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide
CID 110786482
1-methyl-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]urea
CID 115169173
4-(dimethylamino)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666046
3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanamide
CID 110786464
2-(ethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]acetamide
CID 115157922
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
N-[(2-benzyl-1H-indol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide
CID 76853916
3,4-dichloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110786732
3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110786718
2-methyl-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methylamino]propanoic acid
CID 115127990
1,3-dimethyl-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]urea
CID 115169282
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide
CID 2738883

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide (CID 110794915) is 4-(dimethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide is CN(C)c1ccc(C(=O)NCc2ccc3[nH]c(=O)oc3c2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide?
The InChIKey is NYTYJQKCEPUDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-20(2)13-6-4-12(5-7-13)16(21)18-10-11-3-8-14-15(9-11)23-17(22)19-14/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 4-(dimethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide?
4-(dimethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide has a molecular weight of 311.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide is sourced from PubChem (CID 110794915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).