2-(N,4-diacetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C16H17N3O4 — CID 113175717

IUPAC2-(N,4-diacetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCC(=O)c1ccc(N(CC(=O)Nc2cc(C)on2)C(C)=O)cc1
InChIInChI=1S/C16H17N3O4/c1-10-8-15(18-23-10)17-16(22)9-19(12(3)21)14-6-4-13(5-7-14)11(2)20/h4-8H,9H2,1-3H3,(H,17,18,22)
InChIKeyOWHTZVSLXJBDNS-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.18
Rot. Bonds5

About 2-(N,4-diacetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(N,4-diacetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 113175717) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-(N,4-diacetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(N,4-diacetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID113175717
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name2-(N,4-diacetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCC(=O)c1ccc(N(CC(=O)Nc2cc(C)on2)C(C)=O)cc1
InChIInChI=1S/C16H17N3O4/c1-10-8-15(18-23-10)17-16(22)9-19(12(3)21)14-6-4-13(5-7-14)11(2)20/h4-8H,9H2,1-3H3,(H,17,18,22)
InChIKeyOWHTZVSLXJBDNS-UHFFFAOYSA-N
XLogP2.18
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-acetyl-2,6-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113168816
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113180495
ethyl 4-[acetyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]benzoate
CID 113133389
2-(N,4-diacetylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113175635
2-(N-acetyl-3,5-dimethylanilino)-N-(4-acetylphenyl)acetamide
CID 113168572
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-acetylphenyl)propanamide
CID 113135794
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113172914
N-(4-acetylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109041036
2-(N-ethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 47121660
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113135846
2-[acetyl(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 813520
2-[carboxymethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetic acid
CID 55245946

Frequently Asked Questions

What is the IUPAC name of 2-(N,4-diacetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(N,4-diacetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 113175717) is 2-(N,4-diacetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(N,4-diacetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(N,4-diacetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CC(=O)c1ccc(N(CC(=O)Nc2cc(C)on2)C(C)=O)cc1.
What is the InChIKey of 2-(N,4-diacetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is OWHTZVSLXJBDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-10-8-15(18-23-10)17-16(22)9-19(12(3)21)14-6-4-13(5-7-14)11(2)20/h4-8H,9H2,1-3H3,(H,17,18,22).
What are the key properties of 2-(N,4-diacetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(N,4-diacetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 315.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,4-diacetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 113175717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).