3-ethyl-5-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,2-oxazole-4-carboxamide

C13H21N3O4S — CID 74244514

IUPAC3-ethyl-5-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C13H21N3O4S/c1-3-11-12(10(2)20-15-11)13(17)14-6-9-21(18,19)16-7-4-5-8-16/h3-9H2,1-2H3,(H,14,17)
InChIKeyWRAQXMZSFSRRAC-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.70
Rot. Bonds6

About 3-ethyl-5-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,2-oxazole-4-carboxamide

3-ethyl-5-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,2-oxazole-4-carboxamide (PubChem CID 74244514) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,2-oxazole-4-carboxamide
PubChem CID74244514
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name3-ethyl-5-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C13H21N3O4S/c1-3-11-12(10(2)20-15-11)13(17)14-6-9-21(18,19)16-7-4-5-8-16/h3-9H2,1-2H3,(H,14,17)
InChIKeyWRAQXMZSFSRRAC-UHFFFAOYSA-N
XLogP0.70
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,2-oxazole-4-carboxamide (CID 74244514) is 3-ethyl-5-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NCCS(=O)(=O)N1CCCC1.
What is the InChIKey of 3-ethyl-5-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is WRAQXMZSFSRRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-3-11-12(10(2)20-15-11)13(17)14-6-9-21(18,19)16-7-4-5-8-16/h3-9H2,1-2H3,(H,14,17).
What are the key properties of 3-ethyl-5-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 74244514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).