1-N-(4-acetylphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide

C17H17N3O4 — CID 108983456

IUPAC1-N-(4-acetylphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)C2(C(=O)Nc3cc(C)on3)CC2)cc1
InChIInChI=1S/C17H17N3O4/c1-10-9-14(20-24-10)19-16(23)17(7-8-17)15(22)18-13-5-3-12(4-6-13)11(2)21/h3-6,9H,7-8H2,1-2H3,(H,18,22)(H,19,20,23)
InChIKeyVONIMHYWLKJMHS-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.54
Rot. Bonds5

About 1-N-(4-acetylphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide

1-N-(4-acetylphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide (PubChem CID 108983456) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 1-N-(4-acetylphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-acetylphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide
PubChem CID108983456
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name1-N-(4-acetylphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)C2(C(=O)Nc3cc(C)on3)CC2)cc1
InChIInChI=1S/C17H17N3O4/c1-10-9-14(20-24-10)19-16(23)17(7-8-17)15(22)18-13-5-3-12(4-6-13)11(2)21/h3-6,9H,7-8H2,1-2H3,(H,18,22)(H,19,20,23)
InChIKeyVONIMHYWLKJMHS-UHFFFAOYSA-N
XLogP2.54
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N'-(2,6-difluorophenyl)-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide
CID 108983885
1-N'-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108983378
methyl 4-chloro-3-[[1-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108983551
1-N-(4-acetylphenyl)-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981261
N-(4-acetylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109041036
1-N-(5-methyl-1,2-oxazol-3-yl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108975488
1-N'-(5-methyl-1,2-oxazol-3-yl)-1-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108983363
1-N-(2,4-dimethoxyphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide
CID 108983326
1-N'-(5-methyl-1,2-oxazol-3-yl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976771
1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 108978574
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]acetamide
CID 112990326
6-(4-acetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109359404

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-acetylphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(4-acetylphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide (CID 108983456) is 1-N-(4-acetylphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(4-acetylphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(4-acetylphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide is CC(=O)c1ccc(NC(=O)C2(C(=O)Nc3cc(C)on3)CC2)cc1.
What is the InChIKey of 1-N-(4-acetylphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide?
The InChIKey is VONIMHYWLKJMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-10-9-14(20-24-10)19-16(23)17(7-8-17)15(22)18-13-5-3-12(4-6-13)11(2)21/h3-6,9H,7-8H2,1-2H3,(H,18,22)(H,19,20,23).
What are the key properties of 1-N-(4-acetylphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide?
1-N-(4-acetylphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide has a molecular weight of 327.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-acetylphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108983456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).