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

C17H14N2O5 — CID 37094323

IUPAC2-(3-acetylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
SMILESCC(=O)c1cccc(OCC(=O)Nc2ccc3oc(=O)[nH]c3c2)c1
InChIInChI=1S/C17H14N2O5/c1-10(20)11-3-2-4-13(7-11)23-9-16(21)18-12-5-6-15-14(8-12)19-17(22)24-15/h2-8H,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyMSVKNXQETDSIJU-UHFFFAOYSA-N
MW326.31 g/mol
LogP2.34
Rot. Bonds5

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

2-(3-acetylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide (PubChem CID 37094323) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
PubChem CID37094323
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC Name2-(3-acetylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
SMILESCC(=O)c1cccc(OCC(=O)Nc2ccc3oc(=O)[nH]c3c2)c1
InChIInChI=1S/C17H14N2O5/c1-10(20)11-3-2-4-13(7-11)23-9-16(21)18-12-5-6-15-14(8-12)19-17(22)24-15/h2-8H,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyMSVKNXQETDSIJU-UHFFFAOYSA-N
XLogP2.34
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 38466500
2-(4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 37093998
2-(3-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 110662124
4-(3-methoxyphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110607947
N-(4-acetamidophenyl)-2-(3-acetylphenoxy)acetamide
CID 2627260
2-(3-acetylphenoxy)-N-(4-methylphenyl)acetamide
CID 2616941
4-(3-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 51089599
2-(2-methoxy-4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 37094344
2-[4-[[2-(3-acetylphenoxy)acetyl]amino]phenyl]-N-methylacetamide
CID 35365218
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoate
CID 47157162
2-(4-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 110662130
2-(3-acetylphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2639907

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide (CID 37094323) is 2-(3-acetylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide is CC(=O)c1cccc(OCC(=O)Nc2ccc3oc(=O)[nH]c3c2)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is MSVKNXQETDSIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5/c1-10(20)11-3-2-4-13(7-11)23-9-16(21)18-12-5-6-15-14(8-12)19-17(22)24-15/h2-8H,9H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 2-(3-acetylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
2-(3-acetylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 326.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 37094323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).