4-hydroxy-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-oxo-2-[(4-phenylphenyl)methoxy]butanamide

C23H24N2O5 — CID 58354358

IUPAC4-hydroxy-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-oxo-2-[(4-phenylphenyl)methoxy]butanamide
SMILESCc1cc(CNC(=O)C(C)(OCc2ccc(-c3ccccc3)cc2)C(=O)CO)no1
InChIInChI=1S/C23H24N2O5/c1-16-12-20(25-30-16)13-24-22(28)23(2,21(27)14-26)29-15-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-12,26H,13-15H2,1-2H3,(H,24,28)
InChIKeyNEOSMBYATDUXNG-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.80
Rot. Bonds9

About 4-hydroxy-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-oxo-2-[(4-phenylphenyl)methoxy]butanamide

4-hydroxy-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-oxo-2-[(4-phenylphenyl)methoxy]butanamide (PubChem CID 58354358) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-oxo-2-[(4-phenylphenyl)methoxy]butanamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-oxo-2-[(4-phenylphenyl)methoxy]butanamide
PubChem CID58354358
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name4-hydroxy-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-oxo-2-[(4-phenylphenyl)methoxy]butanamide
SMILESCc1cc(CNC(=O)C(C)(OCc2ccc(-c3ccccc3)cc2)C(=O)CO)no1
InChIInChI=1S/C23H24N2O5/c1-16-12-20(25-30-16)13-24-22(28)23(2,21(27)14-26)29-15-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-12,26H,13-15H2,1-2H3,(H,24,28)
InChIKeyNEOSMBYATDUXNG-UHFFFAOYSA-N
XLogP2.80
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-1,4-dihydroxy-3-methyl-4-(5-phenyl-1,2-oxazol-3-yl)-3-[(4-phenylphenyl)methoxy]butan-2-one
CID 58354431
2-(4-aminophenyl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 80556831
3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 47728425
N-hydroxy-2-methyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[(4-phenylphenyl)methoxy]propanediamide
CID 58354349
2-amino-3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 76923478
N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110607424
(3S,4S)-1,4-dihydroxy-3-methyl-4-phenyl-3-[(4-phenylphenyl)methoxy]butan-2-one
CID 58354450
(2S,3R)-2-[[4-(4-fluorophenyl)phenyl]methoxy]-N,3-dihydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 45256040
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 47760357
5-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]furan-2-carboxamide
CID 47398777
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 71781801
4,4,4-trifluoro-2,3-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylbutanamide
CID 126830816

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-oxo-2-[(4-phenylphenyl)methoxy]butanamide?
The IUPAC name of 4-hydroxy-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-oxo-2-[(4-phenylphenyl)methoxy]butanamide (CID 58354358) is 4-hydroxy-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-oxo-2-[(4-phenylphenyl)methoxy]butanamide.
What is the SMILES notation for 4-hydroxy-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-oxo-2-[(4-phenylphenyl)methoxy]butanamide?
The canonical SMILES for 4-hydroxy-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-oxo-2-[(4-phenylphenyl)methoxy]butanamide is Cc1cc(CNC(=O)C(C)(OCc2ccc(-c3ccccc3)cc2)C(=O)CO)no1.
What is the InChIKey of 4-hydroxy-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-oxo-2-[(4-phenylphenyl)methoxy]butanamide?
The InChIKey is NEOSMBYATDUXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-16-12-20(25-30-16)13-24-22(28)23(2,21(27)14-26)29-15-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-12,26H,13-15H2,1-2H3,(H,24,28).
What are the key properties of 4-hydroxy-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-oxo-2-[(4-phenylphenyl)methoxy]butanamide?
4-hydroxy-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-oxo-2-[(4-phenylphenyl)methoxy]butanamide has a molecular weight of 408.45 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-oxo-2-[(4-phenylphenyl)methoxy]butanamide is sourced from PubChem (CID 58354358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).