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

C12H14N2O3 — CID 110786460

IUPACN-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanamide
SMILESCCCC(=O)NCc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C12H14N2O3/c1-2-3-11(15)13-7-8-4-5-9-10(6-8)17-12(16)14-9/h4-6H,2-3,7H2,1H3,(H,13,15)(H,14,16)
InChIKeyHNTCYLNDRUQOPA-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.54
Rot. Bonds4

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

N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanamide (PubChem CID 110786460) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanamide
PubChem CID110786460
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC NameN-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanamide
SMILESCCCC(=O)NCc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C12H14N2O3/c1-2-3-11(15)13-7-8-4-5-9-10(6-8)17-12(16)14-9/h4-6H,2-3,7H2,1H3,(H,13,15)(H,14,16)
InChIKeyHNTCYLNDRUQOPA-UHFFFAOYSA-N
XLogP1.54
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-(ethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]acetamide
CID 115157922
methyl 3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)methylamino]propanoate
CID 115174350
3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanamide
CID 110786464
1-methyl-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]urea
CID 115169173
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)methylamino]butanoic acid
CID 82501414
3-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide
CID 115176424
4-bromo-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide
CID 110786482
4-(dimethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide
CID 110794915
2-methyl-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methylamino]propanoic acid
CID 115127990
2-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110792023
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide
CID 110390366
2,2-dimethyl-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)methylamino]propanoic acid
CID 115136583

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanamide?
The IUPAC name of N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanamide (CID 110786460) is N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanamide.
What is the SMILES notation for N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanamide?
The canonical SMILES for N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanamide is CCCC(=O)NCc1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanamide?
The InChIKey is HNTCYLNDRUQOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-2-3-11(15)13-7-8-4-5-9-10(6-8)17-12(16)14-9/h4-6H,2-3,7H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanamide?
N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanamide has a molecular weight of 234.25 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanamide is sourced from PubChem (CID 110786460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).