N-cyclopentyl-3-[3-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl]propanamide

C15H24N4O4S — CID 164639479

IUPACN-cyclopentyl-3-[3-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl]propanamide
SMILESCS(=O)(=O)N1CCC[C@H]1c1noc(CCC(=O)NC2CCCC2)n1
InChIInChI=1S/C15H24N4O4S/c1-24(21,22)19-10-4-7-12(19)15-17-14(23-18-15)9-8-13(20)16-11-5-2-3-6-11/h11-12H,2-10H2,1H3,(H,16,20)/t12-/m0/s1
InChIKeyWBMXHVRGTQKZSF-LBPRGKRZSA-N
MW356.45 g/mol
LogP1.16
Rot. Bonds6

About N-cyclopentyl-3-[3-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl]propanamide

N-cyclopentyl-3-[3-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 164639479) has the molecular formula C15H24N4O4S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-cyclopentyl-3-[3-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[3-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID164639479
Molecular FormulaC15H24N4O4S
Molecular Weight356.45 g/mol
Exact Mass356.15
IUPAC NameN-cyclopentyl-3-[3-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl]propanamide
SMILESCS(=O)(=O)N1CCC[C@H]1c1noc(CCC(=O)NC2CCCC2)n1
InChIInChI=1S/C15H24N4O4S/c1-24(21,22)19-10-4-7-12(19)15-17-14(23-18-15)9-8-13(20)16-11-5-2-3-6-11/h11-12H,2-10H2,1H3,(H,16,20)/t12-/m0/s1
InChIKeyWBMXHVRGTQKZSF-LBPRGKRZSA-N
XLogP1.16
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[3-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-cyclopentyl-3-[3-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl]propanamide (CID 164639479) is N-cyclopentyl-3-[3-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[3-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-cyclopentyl-3-[3-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl]propanamide is CS(=O)(=O)N1CCC[C@H]1c1noc(CCC(=O)NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-3-[3-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is WBMXHVRGTQKZSF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N4O4S/c1-24(21,22)19-10-4-7-12(19)15-17-14(23-18-15)9-8-13(20)16-11-5-2-3-6-11/h11-12H,2-10H2,1H3,(H,16,20)/t12-/m0/s1.
What are the key properties of N-cyclopentyl-3-[3-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl]propanamide?
N-cyclopentyl-3-[3-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 356.45 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[3-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 164639479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).