2-N-cyclopropyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide

C12H15N3O3 — CID 109131011

IUPAC2-N-cyclopropyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
SMILESCc1cc(NC(=O)C2CC2C(=O)NC2CC2)no1
InChIInChI=1S/C12H15N3O3/c1-6-4-10(15-18-6)14-12(17)9-5-8(9)11(16)13-7-2-3-7/h4,7-9H,2-3,5H2,1H3,(H,13,16)(H,14,15,17)
InChIKeyRWMSDWFLSQEJJI-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.84
Rot. Bonds4

About 2-N-cyclopropyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide

2-N-cyclopropyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide (PubChem CID 109131011) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-N-cyclopropyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclopropyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
PubChem CID109131011
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-N-cyclopropyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
SMILESCc1cc(NC(=O)C2CC2C(=O)NC2CC2)no1
InChIInChI=1S/C12H15N3O3/c1-6-4-10(15-18-6)14-12(17)9-5-8(9)11(16)13-7-2-3-7/h4,7-9H,2-3,5H2,1H3,(H,13,16)(H,14,15,17)
InChIKeyRWMSDWFLSQEJJI-UHFFFAOYSA-N
XLogP0.84
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-cycloheptyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109139807
1-N-tert-butyl-2-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109139692
1-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
CID 109149703
1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
CID 109131597
(1R,2S,4S)-N-(5-methyl-1,2-oxazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 6593221
(1S,2S,4R)-N-(5-methyl-1,2-oxazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 1205649
2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2862512
N-(5-methyl-1,2-oxazol-3-yl)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109133449
trans-(1S,2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylate
CID 6937174
2-N-(2,4-difluorophenyl)-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109144128
1-cyclododecyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812118
N-cyclopentyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996024

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-cyclopropyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide (CID 109131011) is 2-N-cyclopropyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-cyclopropyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-cyclopropyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide is Cc1cc(NC(=O)C2CC2C(=O)NC2CC2)no1.
What is the InChIKey of 2-N-cyclopropyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide?
The InChIKey is RWMSDWFLSQEJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-6-4-10(15-18-6)14-12(17)9-5-8(9)11(16)13-7-2-3-7/h4,7-9H,2-3,5H2,1H3,(H,13,16)(H,14,15,17).
What are the key properties of 2-N-cyclopropyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide?
2-N-cyclopropyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide has a molecular weight of 249.27 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109131011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).