2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-chlorophenyl)methyl]acetamide

C15H16ClN3O3 — CID 113181772

IUPAC2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-chlorophenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1ccccc1Cl)c1cc(C)on1
InChIInChI=1S/C15H16ClN3O3/c1-10-7-14(18-22-10)19(11(2)20)9-15(21)17-8-12-5-3-4-6-13(12)16/h3-7H,8-9H2,1-2H3,(H,17,21)
InChIKeyLQSXANULNWZBRD-UHFFFAOYSA-N
MW321.76 g/mol
LogP2.31
Rot. Bonds5

About 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-chlorophenyl)methyl]acetamide

2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 113181772) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-chlorophenyl)methyl]acetamide
PubChem CID113181772
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Name2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-chlorophenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1ccccc1Cl)c1cc(C)on1
InChIInChI=1S/C15H16ClN3O3/c1-10-7-14(18-22-10)19(11(2)20)9-15(21)17-8-12-5-3-4-6-13(12)16/h3-7H,8-9H2,1-2H3,(H,17,21)
InChIKeyLQSXANULNWZBRD-UHFFFAOYSA-N
XLogP2.31
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113181770
N-[(2-chlorophenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide
CID 45076441
2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113167096
2-(N-acetyl-2-methylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113167289
2-(N-acetyl-2,6-diethylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113170122
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-chlorophenyl)acetamide
CID 113181857
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 113181841
N-[(2-chlorophenyl)methyl]-2-(N,4-diacetylanilino)acetamide
CID 113175577
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-benzylpropanamide
CID 113135674
2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113172670
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113181784
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 113181847

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-chlorophenyl)methyl]acetamide (CID 113181772) is 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-chlorophenyl)methyl]acetamide is CC(=O)N(CC(=O)NCc1ccccc1Cl)c1cc(C)on1.
What is the InChIKey of 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-chlorophenyl)methyl]acetamide?
The InChIKey is LQSXANULNWZBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-10-7-14(18-22-10)19(11(2)20)9-15(21)17-8-12-5-3-4-6-13(12)16/h3-7H,8-9H2,1-2H3,(H,17,21).
What are the key properties of 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-chlorophenyl)methyl]acetamide?
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-chlorophenyl)methyl]acetamide has a molecular weight of 321.76 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 113181772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).