N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide

C17H21N3O2S — CID 95317299

IUPACN-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide
SMILESCc1noc([C@H](C)NC(=O)C2(Sc3ccccc3)CCCC2)n1
InChIInChI=1S/C17H21N3O2S/c1-12(15-19-13(2)20-22-15)18-16(21)17(10-6-7-11-17)23-14-8-4-3-5-9-14/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,18,21)/t12-/m0/s1
InChIKeyVNQYBJQZUSDEEW-LBPRGKRZSA-N
MW331.44 g/mol
LogP3.66
Rot. Bonds5

About N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide

N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide (PubChem CID 95317299) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide
PubChem CID95317299
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide
SMILESCc1noc([C@H](C)NC(=O)C2(Sc3ccccc3)CCCC2)n1
InChIInChI=1S/C17H21N3O2S/c1-12(15-19-13(2)20-22-15)18-16(21)17(10-6-7-11-17)23-14-8-4-3-5-9-14/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,18,21)/t12-/m0/s1
InChIKeyVNQYBJQZUSDEEW-LBPRGKRZSA-N
XLogP3.66
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentane-1-carboxamide
CID 95049720
1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 95290615
(1S)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95317200
2-(N-methylanilino)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 97008975
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 51129173
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride
CID 120864077
1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]urea
CID 95335964
1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111841207
3-bromo-1-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indole-2-carboxamide
CID 52537910
2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975706
2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-3-carboxamide
CID 146083478
2-(2-chlorophenyl)-2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 146124489

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide?
The IUPAC name of N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide (CID 95317299) is N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide is Cc1noc([C@H](C)NC(=O)C2(Sc3ccccc3)CCCC2)n1.
What is the InChIKey of N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide?
The InChIKey is VNQYBJQZUSDEEW-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12(15-19-13(2)20-22-15)18-16(21)17(10-6-7-11-17)23-14-8-4-3-5-9-14/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,18,21)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide?
N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide is sourced from PubChem (CID 95317299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).