2-cyclopropyl-N-(2-methylpropylsulfonyl)-1,3-oxazole-4-carboxamide

C11H16N2O4S — CID 99800496

IUPAC2-cyclopropyl-N-(2-methylpropylsulfonyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)CS(=O)(=O)NC(=O)c1coc(C2CC2)n1
InChIInChI=1S/C11H16N2O4S/c1-7(2)6-18(15,16)13-10(14)9-5-17-11(12-9)8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyIGYOZVCISKEPRC-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.27
Rot. Bonds5

About 2-cyclopropyl-N-(2-methylpropylsulfonyl)-1,3-oxazole-4-carboxamide

2-cyclopropyl-N-(2-methylpropylsulfonyl)-1,3-oxazole-4-carboxamide (PubChem CID 99800496) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2-methylpropylsulfonyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(2-methylpropylsulfonyl)-1,3-oxazole-4-carboxamide
PubChem CID99800496
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-cyclopropyl-N-(2-methylpropylsulfonyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)CS(=O)(=O)NC(=O)c1coc(C2CC2)n1
InChIInChI=1S/C11H16N2O4S/c1-7(2)6-18(15,16)13-10(14)9-5-17-11(12-9)8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyIGYOZVCISKEPRC-UHFFFAOYSA-N
XLogP1.27
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2-methylpropylsulfonyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(2-methylpropylsulfonyl)-1,3-oxazole-4-carboxamide (CID 99800496) is 2-cyclopropyl-N-(2-methylpropylsulfonyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(2-methylpropylsulfonyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(2-methylpropylsulfonyl)-1,3-oxazole-4-carboxamide is CC(C)CS(=O)(=O)NC(=O)c1coc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-(2-methylpropylsulfonyl)-1,3-oxazole-4-carboxamide?
The InChIKey is IGYOZVCISKEPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-7(2)6-18(15,16)13-10(14)9-5-17-11(12-9)8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H,13,14).
What are the key properties of 2-cyclopropyl-N-(2-methylpropylsulfonyl)-1,3-oxazole-4-carboxamide?
2-cyclopropyl-N-(2-methylpropylsulfonyl)-1,3-oxazole-4-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2-methylpropylsulfonyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 99800496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).