3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1,2-oxazole

C9H14N2O3S — CID 2805726

IUPAC3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC1
InChIInChI=1S/C9H14N2O3S/c1-7-9(8(2)14-10-7)15(12,13)11-5-3-4-6-11/h3-6H2,1-2H3
InChIKeyNTPMLQSFLOLDEL-UHFFFAOYSA-N
MW230.29 g/mol
LogP1.08
Rot. Bonds2

About 3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1,2-oxazole

3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1,2-oxazole (PubChem CID 2805726) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1,2-oxazole
PubChem CID2805726
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC1
InChIInChI=1S/C9H14N2O3S/c1-7-9(8(2)14-10-7)15(12,13)11-5-3-4-6-11/h3-6H2,1-2H3
InChIKeyNTPMLQSFLOLDEL-UHFFFAOYSA-N
XLogP1.08
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1,2-oxazole (CID 2805726) is 3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)N1CCCC1.
What is the InChIKey of 3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1,2-oxazole?
The InChIKey is NTPMLQSFLOLDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-7-9(8(2)14-10-7)15(12,13)11-5-3-4-6-11/h3-6H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1,2-oxazole?
3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1,2-oxazole has a molecular weight of 230.29 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1,2-oxazole is sourced from PubChem (CID 2805726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).