2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol

C14H22N2O4S — CID 79539675

IUPAC2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol
SMILESCc1cc(CS(=O)(=O)N2CCCC2C2CCCC2O)no1
InChIInChI=1S/C14H22N2O4S/c1-10-8-11(15-20-10)9-21(18,19)16-7-3-5-13(16)12-4-2-6-14(12)17/h8,12-14,17H,2-7,9H2,1H3
InChIKeyVOUJEHUOIWPGEI-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.44
Rot. Bonds4

About 2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol

2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol (PubChem CID 79539675) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol
PubChem CID79539675
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol
SMILESCc1cc(CS(=O)(=O)N2CCCC2C2CCCC2O)no1
InChIInChI=1S/C14H22N2O4S/c1-10-8-11(15-20-10)9-21(18,19)16-7-3-5-13(16)12-4-2-6-14(12)17/h8,12-14,17H,2-7,9H2,1H3
InChIKeyVOUJEHUOIWPGEI-UHFFFAOYSA-N
XLogP1.44
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The IUPAC name of 2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol (CID 79539675) is 2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol is Cc1cc(CS(=O)(=O)N2CCCC2C2CCCC2O)no1.
What is the InChIKey of 2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The InChIKey is VOUJEHUOIWPGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-10-8-11(15-20-10)9-21(18,19)16-7-3-5-13(16)12-4-2-6-14(12)17/h8,12-14,17H,2-7,9H2,1H3.
What are the key properties of 2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol?
2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol has a molecular weight of 314.41 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 79539675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).