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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 91908859
5-cyclobutyl-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 119043575
N-(cyclohexylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 24679617
5-(methoxymethyl)-3-[(2S)-1-piperidin-1-ylsulfonylazepan-2-yl]-1,2,4-oxadiazole
CID 97344886
tert-butyl 3-[[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]methyl]piperidine-1-carboxylate
CID 60618310
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propanamide
CID 125178289
3-[(2S)-1-(benzenesulfonyl)azepan-2-yl]-5-(methoxymethyl)-1,2,4-oxadiazole
CID 97344881
3-(1-methylsulfonylpyrrolidin-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole
CID 119043574
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2,2-dimethylpropylsulfonyl)propanamide
CID 99812784
N-(cyclopropylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 47158071
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 91644648
N-cyclohexylsulfonyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 75418435

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).