3-hydroxy-4-methyl-N-[1-[2-(1,2-oxazol-4-yl)ethylamino]-1-oxopropan-2-yl]benzamide

C16H19N3O4 — CID 166387678

IUPAC3-hydroxy-4-methyl-N-[1-[2-(1,2-oxazol-4-yl)ethylamino]-1-oxopropan-2-yl]benzamide
SMILESCc1ccc(C(=O)NC(C)C(=O)NCCc2cnoc2)cc1O
InChIInChI=1S/C16H19N3O4/c1-10-3-4-13(7-14(10)20)16(22)19-11(2)15(21)17-6-5-12-8-18-23-9-12/h3-4,7-9,11,20H,5-6H2,1-2H3,(H,17,21)(H,19,22)
InChIKeyWGEPECHWEUHMKL-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.17
Rot. Bonds6

About 3-hydroxy-4-methyl-N-[1-[2-(1,2-oxazol-4-yl)ethylamino]-1-oxopropan-2-yl]benzamide

3-hydroxy-4-methyl-N-[1-[2-(1,2-oxazol-4-yl)ethylamino]-1-oxopropan-2-yl]benzamide (PubChem CID 166387678) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-N-[1-[2-(1,2-oxazol-4-yl)ethylamino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name3-hydroxy-4-methyl-N-[1-[2-(1,2-oxazol-4-yl)ethylamino]-1-oxopropan-2-yl]benzamide
PubChem CID166387678
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name3-hydroxy-4-methyl-N-[1-[2-(1,2-oxazol-4-yl)ethylamino]-1-oxopropan-2-yl]benzamide
SMILESCc1ccc(C(=O)NC(C)C(=O)NCCc2cnoc2)cc1O
InChIInChI=1S/C16H19N3O4/c1-10-3-4-13(7-14(10)20)16(22)19-11(2)15(21)17-6-5-12-8-18-23-9-12/h3-4,7-9,11,20H,5-6H2,1-2H3,(H,17,21)(H,19,22)
InChIKeyWGEPECHWEUHMKL-UHFFFAOYSA-N
XLogP1.17
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-hydroxy-4-methylbenzoyl)amino]propanoic acid
CID 16778253
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3-hydroxy-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
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3-fluoro-4-methyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
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3-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
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3-hydroxy-4-methyl-N-pent-4-en-2-ylbenzamide
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3-hydroxy-N-(2-hydroxy-3-methylbutyl)-4-methylbenzamide
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N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-N-[1-[2-(1,2-oxazol-4-yl)ethylamino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 3-hydroxy-4-methyl-N-[1-[2-(1,2-oxazol-4-yl)ethylamino]-1-oxopropan-2-yl]benzamide (CID 166387678) is 3-hydroxy-4-methyl-N-[1-[2-(1,2-oxazol-4-yl)ethylamino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 3-hydroxy-4-methyl-N-[1-[2-(1,2-oxazol-4-yl)ethylamino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 3-hydroxy-4-methyl-N-[1-[2-(1,2-oxazol-4-yl)ethylamino]-1-oxopropan-2-yl]benzamide is Cc1ccc(C(=O)NC(C)C(=O)NCCc2cnoc2)cc1O.
What is the InChIKey of 3-hydroxy-4-methyl-N-[1-[2-(1,2-oxazol-4-yl)ethylamino]-1-oxopropan-2-yl]benzamide?
The InChIKey is WGEPECHWEUHMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-10-3-4-13(7-14(10)20)16(22)19-11(2)15(21)17-6-5-12-8-18-23-9-12/h3-4,7-9,11,20H,5-6H2,1-2H3,(H,17,21)(H,19,22).
What are the key properties of 3-hydroxy-4-methyl-N-[1-[2-(1,2-oxazol-4-yl)ethylamino]-1-oxopropan-2-yl]benzamide?
3-hydroxy-4-methyl-N-[1-[2-(1,2-oxazol-4-yl)ethylamino]-1-oxopropan-2-yl]benzamide has a molecular weight of 317.35 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-N-[1-[2-(1,2-oxazol-4-yl)ethylamino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 166387678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).