N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide

C16H14N2O3 — CID 110773952

IUPACN-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
SMILESO=C(Cc1ccc2oc(=O)[nH]c2c1)NCc1ccccc1
InChIInChI=1S/C16H14N2O3/c19-15(17-10-11-4-2-1-3-5-11)9-12-6-7-14-13(8-12)18-16(20)21-14/h1-8H,9-10H2,(H,17,19)(H,18,20)
InChIKeyMIPSPTBCVJJCIL-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.98
Rot. Bonds4

About N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide

N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide (PubChem CID 110773952) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
PubChem CID110773952
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
SMILESO=C(Cc1ccc2oc(=O)[nH]c2c1)NCc1ccccc1
InChIInChI=1S/C16H14N2O3/c19-15(17-10-11-4-2-1-3-5-11)9-12-6-7-14-13(8-12)18-16(20)21-14/h1-8H,9-10H2,(H,17,19)(H,18,20)
InChIKeyMIPSPTBCVJJCIL-UHFFFAOYSA-N
XLogP1.98
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-2-phenylacetamide
CID 110786737
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
1-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-3-phenylurea
CID 110775568
2-(2-fluorophenyl)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 110665351
N-[(3-methylphenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110390393
3-(3-fluorophenyl)-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide
CID 110786774
N-[(2-chlorophenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110390399
N-(2-chlorophenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110774027
N-(2-bromophenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110774064
N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-phenylacetamide
CID 110774013
2-ethyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide
CID 110786713

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide (CID 110773952) is N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide is O=C(Cc1ccc2oc(=O)[nH]c2c1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is MIPSPTBCVJJCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15(17-10-11-4-2-1-3-5-11)9-12-6-7-14-13(8-12)18-16(20)21-14/h1-8H,9-10H2,(H,17,19)(H,18,20).
What are the key properties of N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 282.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 110773952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).