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

C17H28N4O4S — CID 91919329

IUPACN-(cyclohexylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCS(=O)(=O)N1CCCC1c1noc(CCC(=O)NCC2CCCCC2)n1
InChIInChI=1S/C17H28N4O4S/c1-26(23,24)21-11-5-8-14(21)17-19-16(25-20-17)10-9-15(22)18-12-13-6-3-2-4-7-13/h13-14H,2-12H2,1H3,(H,18,22)
InChIKeyPZGFANHVSPOCKE-UHFFFAOYSA-N
MW384.50 g/mol
LogP1.80
Rot. Bonds7

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

N-(cyclohexylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 91919329) has the molecular formula C17H28N4O4S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID91919329
Molecular FormulaC17H28N4O4S
Molecular Weight384.50 g/mol
Exact Mass384.18
IUPAC NameN-(cyclohexylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCS(=O)(=O)N1CCCC1c1noc(CCC(=O)NCC2CCCCC2)n1
InChIInChI=1S/C17H28N4O4S/c1-26(23,24)21-11-5-8-14(21)17-19-16(25-20-17)10-9-15(22)18-12-13-6-3-2-4-7-13/h13-14H,2-12H2,1H3,(H,18,22)
InChIKeyPZGFANHVSPOCKE-UHFFFAOYSA-N
XLogP1.80
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(cyclohexylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide (CID 91919329) is N-(cyclohexylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide is CS(=O)(=O)N1CCCC1c1noc(CCC(=O)NCC2CCCCC2)n1.
What is the InChIKey of N-(cyclohexylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is PZGFANHVSPOCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4S/c1-26(23,24)21-11-5-8-14(21)17-19-16(25-20-17)10-9-15(22)18-12-13-6-3-2-4-7-13/h13-14H,2-12H2,1H3,(H,18,22).
What are the key properties of N-(cyclohexylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(cyclohexylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 384.50 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 91919329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).