1-N'-(2,6-difluorophenyl)-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide

C15H13F2N3O3 — CID 108983885

IUPAC1-N'-(2,6-difluorophenyl)-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide
SMILESCc1cc(NC(=O)C2(C(=O)Nc3c(F)cccc3F)CC2)no1
InChIInChI=1S/C15H13F2N3O3/c1-8-7-11(20-23-8)18-13(21)15(5-6-15)14(22)19-12-9(16)3-2-4-10(12)17/h2-4,7H,5-6H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyHFDAIOVHBPSEGU-UHFFFAOYSA-N
MW321.28 g/mol
LogP2.62
Rot. Bonds4

About 1-N'-(2,6-difluorophenyl)-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide

1-N'-(2,6-difluorophenyl)-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide (PubChem CID 108983885) has the molecular formula C15H13F2N3O3 and a molecular weight of 321.28 g/mol. Its IUPAC name is 1-N'-(2,6-difluorophenyl)-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2,6-difluorophenyl)-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide
PubChem CID108983885
Molecular FormulaC15H13F2N3O3
Molecular Weight321.28 g/mol
Exact Mass321.09
IUPAC Name1-N'-(2,6-difluorophenyl)-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide
SMILESCc1cc(NC(=O)C2(C(=O)Nc3c(F)cccc3F)CC2)no1
InChIInChI=1S/C15H13F2N3O3/c1-8-7-11(20-23-8)18-13(21)15(5-6-15)14(22)19-12-9(16)3-2-4-10(12)17/h2-4,7H,5-6H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyHFDAIOVHBPSEGU-UHFFFAOYSA-N
XLogP2.62
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N'-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108983378
2-(2,6-difluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 109011324
1-N'-(5-methyl-1,2-oxazol-3-yl)-1-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108983363
1-N-(4-acetylphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide
CID 108983456
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-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976771
1-N-(2,4-dimethoxyphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide
CID 108983326
3-fluoro-2-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62649569
N-(2,6-difluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109042862
1-N-(4-tert-butylphenyl)-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982284
1-N'-(2,6-dichlorophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983822
1-N'-(2,6-difluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975193

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2,6-difluorophenyl)-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2,6-difluorophenyl)-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide (CID 108983885) is 1-N'-(2,6-difluorophenyl)-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2,6-difluorophenyl)-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2,6-difluorophenyl)-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide is Cc1cc(NC(=O)C2(C(=O)Nc3c(F)cccc3F)CC2)no1.
What is the InChIKey of 1-N'-(2,6-difluorophenyl)-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide?
The InChIKey is HFDAIOVHBPSEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O3/c1-8-7-11(20-23-8)18-13(21)15(5-6-15)14(22)19-12-9(16)3-2-4-10(12)17/h2-4,7H,5-6H2,1H3,(H,19,22)(H,18,20,21).
What are the key properties of 1-N'-(2,6-difluorophenyl)-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide?
1-N'-(2,6-difluorophenyl)-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide has a molecular weight of 321.28 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2,6-difluorophenyl)-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108983885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).