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

C13H19N3O3 — CID 109139692

IUPAC1-N-tert-butyl-2-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
SMILESCc1cc(NC(=O)C2CC2C(=O)NC(C)(C)C)no1
InChIInChI=1S/C13H19N3O3/c1-7-5-10(16-19-7)14-11(17)8-6-9(8)12(18)15-13(2,3)4/h5,8-9H,6H2,1-4H3,(H,15,18)(H,14,16,17)
InChIKeyXTPIYRAYKLANKF-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.47
Rot. Bonds3

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

1-N-tert-butyl-2-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide (PubChem CID 109139692) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
PubChem CID109139692
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-N-tert-butyl-2-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
SMILESCc1cc(NC(=O)C2CC2C(=O)NC(C)(C)C)no1
InChIInChI=1S/C13H19N3O3/c1-7-5-10(16-19-7)14-11(17)8-6-9(8)12(18)15-13(2,3)4/h5,8-9H,6H2,1-4H3,(H,15,18)(H,14,16,17)
InChIKeyXTPIYRAYKLANKF-UHFFFAOYSA-N
XLogP1.47
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-cyclopropyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109131011
1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
CID 109131597
2-N-cycloheptyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109139807
N-(5-methyl-1,2-oxazol-3-yl)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109133449
2-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142553
2-N-(2,4-difluorophenyl)-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109144128
(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
N-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxamide
CID 110690048
2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2862512
cis-(1R,2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 2166198
1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137458

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-tert-butyl-2-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide (CID 109139692) is 1-N-tert-butyl-2-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-tert-butyl-2-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-tert-butyl-2-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide is Cc1cc(NC(=O)C2CC2C(=O)NC(C)(C)C)no1.
What is the InChIKey of 1-N-tert-butyl-2-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide?
The InChIKey is XTPIYRAYKLANKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-7-5-10(16-19-7)14-11(17)8-6-9(8)12(18)15-13(2,3)4/h5,8-9H,6H2,1-4H3,(H,15,18)(H,14,16,17).
What are the key properties of 1-N-tert-butyl-2-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide?
1-N-tert-butyl-2-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide has a molecular weight of 265.31 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109139692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).