2-cyclopropyl-N-methylsulfonyl-1,3-oxazole-4-carboxamide

C8H10N2O4S — CID 137442357

IUPAC2-cyclopropyl-N-methylsulfonyl-1,3-oxazole-4-carboxamide
SMILESCS(=O)(=O)NC(=O)c1coc(C2CC2)n1
InChIInChI=1S/C8H10N2O4S/c1-15(12,13)10-7(11)6-4-14-8(9-6)5-2-3-5/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyRQQCQOPZIRSUNJ-UHFFFAOYSA-N
MW230.24 g/mol
LogP0.24
Rot. Bonds3

About 2-cyclopropyl-N-methylsulfonyl-1,3-oxazole-4-carboxamide

2-cyclopropyl-N-methylsulfonyl-1,3-oxazole-4-carboxamide (PubChem CID 137442357) has the molecular formula C8H10N2O4S and a molecular weight of 230.24 g/mol. Its IUPAC name is 2-cyclopropyl-N-methylsulfonyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-methylsulfonyl-1,3-oxazole-4-carboxamide
PubChem CID137442357
Molecular FormulaC8H10N2O4S
Molecular Weight230.24 g/mol
Exact Mass230.04
IUPAC Name2-cyclopropyl-N-methylsulfonyl-1,3-oxazole-4-carboxamide
SMILESCS(=O)(=O)NC(=O)c1coc(C2CC2)n1
InChIInChI=1S/C8H10N2O4S/c1-15(12,13)10-7(11)6-4-14-8(9-6)5-2-3-5/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyRQQCQOPZIRSUNJ-UHFFFAOYSA-N
XLogP0.24
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-methylsulfonyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-methylsulfonyl-1,3-oxazole-4-carboxamide (CID 137442357) is 2-cyclopropyl-N-methylsulfonyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-methylsulfonyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-methylsulfonyl-1,3-oxazole-4-carboxamide is CS(=O)(=O)NC(=O)c1coc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-methylsulfonyl-1,3-oxazole-4-carboxamide?
The InChIKey is RQQCQOPZIRSUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-15(12,13)10-7(11)6-4-14-8(9-6)5-2-3-5/h4-5H,2-3H2,1H3,(H,10,11).
What are the key properties of 2-cyclopropyl-N-methylsulfonyl-1,3-oxazole-4-carboxamide?
2-cyclopropyl-N-methylsulfonyl-1,3-oxazole-4-carboxamide has a molecular weight of 230.24 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-methylsulfonyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 137442357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).