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

C14H22N4O4S — CID 91908859

IUPACN-(cyclopropylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCS(=O)(=O)N1CCCC1c1noc(CCC(=O)NCC2CC2)n1
InChIInChI=1S/C14H22N4O4S/c1-23(20,21)18-8-2-3-11(18)14-16-13(22-17-14)7-6-12(19)15-9-10-4-5-10/h10-11H,2-9H2,1H3,(H,15,19)
InChIKeyQEZKVVCTDPJVOR-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.62
Rot. Bonds7

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

N-(cyclopropylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 91908859) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID91908859
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC NameN-(cyclopropylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCS(=O)(=O)N1CCCC1c1noc(CCC(=O)NCC2CC2)n1
InChIInChI=1S/C14H22N4O4S/c1-23(20,21)18-8-2-3-11(18)14-16-13(22-17-14)7-6-12(19)15-9-10-4-5-10/h10-11H,2-9H2,1H3,(H,15,19)
InChIKeyQEZKVVCTDPJVOR-UHFFFAOYSA-N
XLogP0.62
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclohexylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 91919329
5-cyclobutyl-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 119043575
N-(cyclopropylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 47158071
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
tert-butyl 3-[[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]methyl]piperidine-1-carboxylate
CID 60618310
5-(methoxymethyl)-3-[(2S)-1-piperidin-1-ylsulfonylazepan-2-yl]-1,2,4-oxadiazole
CID 97344886
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propanamide
CID 125178289
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 166211937
N-methyl-3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]propanamide
CID 110257937
3-[6-methyl-2-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyrimidin-4-yl]propanamide
CID 95826563
3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 136511978

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(cyclopropylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide (CID 91908859) is N-(cyclopropylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide is CS(=O)(=O)N1CCCC1c1noc(CCC(=O)NCC2CC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is QEZKVVCTDPJVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-23(20,21)18-8-2-3-11(18)14-16-13(22-17-14)7-6-12(19)15-9-10-4-5-10/h10-11H,2-9H2,1H3,(H,15,19).
What are the key properties of N-(cyclopropylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(cyclopropylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 342.42 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 91908859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).