2-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide

C19H23N3O3 — CID 109142553

IUPAC2-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCc1cc(NC(=O)C2CC2C(=O)Nc2c(C)cccc2C(C)C)no1
InChIInChI=1S/C19H23N3O3/c1-10(2)13-7-5-6-11(3)17(13)21-19(24)15-9-14(15)18(23)20-16-8-12(4)25-22-16/h5-8,10,14-15H,9H2,1-4H3,(H,21,24)(H,20,22,23)
InChIKeyJARDCDVIYBOFPK-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.63
Rot. Bonds5

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

2-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109142553) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109142553
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCc1cc(NC(=O)C2CC2C(=O)Nc2c(C)cccc2C(C)C)no1
InChIInChI=1S/C19H23N3O3/c1-10(2)13-7-5-6-11(3)17(13)21-19(24)15-9-14(15)18(23)20-16-8-12(4)25-22-16/h5-8,10,14-15H,9H2,1-4H3,(H,21,24)(H,20,22,23)
InChIKeyJARDCDVIYBOFPK-UHFFFAOYSA-N
XLogP3.63
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-acetylphenyl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142532
1-N-tert-butyl-2-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109139692
1-N-(2-methyl-6-propan-2-ylphenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130528
1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
CID 109131597
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109268195
2-N-cyclopropyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109131011
methyl 4-[[2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142538
N-(5-methyl-1,2-oxazol-3-yl)-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112562
1-N-(2-methyl-6-propan-2-ylphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109136931
1-(2-methyl-6-propan-2-ylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812503
1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143981
1-N-(2-methyl-6-propan-2-ylphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137086

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide (CID 109142553) is 2-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide is Cc1cc(NC(=O)C2CC2C(=O)Nc2c(C)cccc2C(C)C)no1.
What is the InChIKey of 2-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is JARDCDVIYBOFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-10(2)13-7-5-6-11(3)17(13)21-19(24)15-9-14(15)18(23)20-16-8-12(4)25-22-16/h5-8,10,14-15H,9H2,1-4H3,(H,21,24)(H,20,22,23).
What are the key properties of 2-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide?
2-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 341.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109142553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).