N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide

C17H16N2O4 — CID 110665315

IUPACN-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C17H16N2O4/c20-16(11-22-13-4-2-1-3-5-13)18-9-8-12-6-7-15-14(10-12)19-17(21)23-15/h1-7,10H,8-9,11H2,(H,18,20)(H,19,21)
InChIKeyPSOXADDNGGWGGR-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.86
Rot. Bonds6

About N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide

N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide (PubChem CID 110665315) has the molecular formula C17H16N2O4 and a molecular weight of 312.32 g/mol. Its IUPAC name is N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide
PubChem CID110665315
Molecular FormulaC17H16N2O4
Molecular Weight312.32 g/mol
Exact Mass312.11
IUPAC NameN-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C17H16N2O4/c20-16(11-22-13-4-2-1-3-5-13)18-9-8-12-6-7-15-14(10-12)19-17(21)23-15/h1-7,10H,8-9,11H2,(H,18,20)(H,19,21)
InChIKeyPSOXADDNGGWGGR-UHFFFAOYSA-N
XLogP1.86
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenoxy)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 110665357
3-chloro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115162652
2-(2-fluorophenyl)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 110665351
2-(ethylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 115158063
3-cyano-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115173971
5-bromo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]furan-2-carboxamide
CID 110665271
N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide
CID 110707496
N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]cyclopropanecarboxamide
CID 110665279
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide
CID 110390366
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
4-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]benzamide
CID 110665296

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide (CID 110665315) is N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCCc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide?
The InChIKey is PSOXADDNGGWGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c20-16(11-22-13-4-2-1-3-5-13)18-9-8-12-6-7-15-14(10-12)19-17(21)23-15/h1-7,10H,8-9,11H2,(H,18,20)(H,19,21).
What are the key properties of N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide?
N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide has a molecular weight of 312.32 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 110665315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).