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

C12H15N3O3 — CID 115157922

IUPAC2-(ethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]acetamide
SMILESCCNCC(=O)NCc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C12H15N3O3/c1-2-13-7-11(16)14-6-8-3-4-9-10(5-8)18-12(17)15-9/h3-5,13H,2,6-7H2,1H3,(H,14,16)(H,15,17)
InChIKeyRIWKKJVGMJYLIS-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.35
Rot. Bonds5

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

2-(ethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]acetamide (PubChem CID 115157922) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]acetamide
PubChem CID115157922
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-(ethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]acetamide
SMILESCCNCC(=O)NCc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C12H15N3O3/c1-2-13-7-11(16)14-6-8-3-4-9-10(5-8)18-12(17)15-9/h3-5,13H,2,6-7H2,1H3,(H,14,16)(H,15,17)
InChIKeyRIWKKJVGMJYLIS-UHFFFAOYSA-N
XLogP0.35
TPSA87.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanamide
CID 110786460
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
2-(ethylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 115158063
1-methyl-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]urea
CID 115169173
3-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide
CID 115176424
2,2-dimethyl-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)methylamino]propanoic acid
CID 115136583
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
6-[[(4-aminophenyl)methylamino]methyl]-3H-1,3-benzoxazol-2-one
CID 115212493
6-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-3H-1,3-benzoxazol-2-one
CID 115135340

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]acetamide?
The IUPAC name of 2-(ethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]acetamide (CID 115157922) is 2-(ethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]acetamide.
What is the SMILES notation for 2-(ethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]acetamide?
The canonical SMILES for 2-(ethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]acetamide is CCNCC(=O)NCc1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 2-(ethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]acetamide?
The InChIKey is RIWKKJVGMJYLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-2-13-7-11(16)14-6-8-3-4-9-10(5-8)18-12(17)15-9/h3-5,13H,2,6-7H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 2-(ethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]acetamide?
2-(ethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]acetamide has a molecular weight of 249.27 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]acetamide is sourced from PubChem (CID 115157922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).