N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-phenylacetamide

C16H14N2O3 — CID 110774013

IUPACN-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-phenylacetamide
SMILESCN(C(=O)Cc1ccc2oc(=O)[nH]c2c1)c1ccccc1
InChIInChI=1S/C16H14N2O3/c1-18(12-5-3-2-4-6-12)15(19)10-11-7-8-14-13(9-11)17-16(20)21-14/h2-9H,10H2,1H3,(H,17,20)
InChIKeyKRLHCBLZFZSNII-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.33
Rot. Bonds3

About N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-phenylacetamide

N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-phenylacetamide (PubChem CID 110774013) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-phenylacetamide
PubChem CID110774013
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-phenylacetamide
SMILESCN(C(=O)Cc1ccc2oc(=O)[nH]c2c1)c1ccccc1
InChIInChI=1S/C16H14N2O3/c1-18(12-5-3-2-4-6-12)15(19)10-11-7-8-14-13(9-11)17-16(20)21-14/h2-9H,10H2,1H3,(H,17,20)
InChIKeyKRLHCBLZFZSNII-UHFFFAOYSA-N
XLogP2.33
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide
CID 110774001
N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110773952
N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-2-phenylacetamide
CID 110786737
2-methyl-3-[methyl-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]amino]propanoic acid
CID 115219509
N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 110773977
N-methyl-2-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide
CID 115175819
5-[2-oxo-2-(4-propanoylpiperazin-1-yl)ethyl]-3H-1,3-benzoxazol-2-one
CID 110799951
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylacetamide
CID 18190703
2-amino-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanoic acid;hydrochloride
CID 70618768
N-(2-bromophenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110774064
N-(2-chlorophenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110774027
3-amino-N-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115153102

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-phenylacetamide?
The IUPAC name of N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-phenylacetamide (CID 110774013) is N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-phenylacetamide?
The canonical SMILES for N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-phenylacetamide is CN(C(=O)Cc1ccc2oc(=O)[nH]c2c1)c1ccccc1.
What is the InChIKey of N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-phenylacetamide?
The InChIKey is KRLHCBLZFZSNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-18(12-5-3-2-4-6-12)15(19)10-11-7-8-14-13(9-11)17-16(20)21-14/h2-9H,10H2,1H3,(H,17,20).
What are the key properties of N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-phenylacetamide?
N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-phenylacetamide has a molecular weight of 282.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-phenylacetamide is sourced from PubChem (CID 110774013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).