3-(3-chlorophenyl)-5-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole

C18H20ClN5O — CID 139003136

IUPAC3-(3-chlorophenyl)-5-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1cnn(C2CCN(CCc3nc(-c4cccc(Cl)c4)no3)C2)c1
InChIInChI=1S/C18H20ClN5O/c1-13-10-20-24(11-13)16-5-7-23(12-16)8-6-17-21-18(22-25-17)14-3-2-4-15(19)9-14/h2-4,9-11,16H,5-8,12H2,1H3
InChIKeyIGACSSWDLBDBEP-UHFFFAOYSA-N
MW357.85 g/mol
LogP3.38
Rot. Bonds5

About 3-(3-chlorophenyl)-5-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole

3-(3-chlorophenyl)-5-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 139003136) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID139003136
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC Name3-(3-chlorophenyl)-5-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1cnn(C2CCN(CCc3nc(-c4cccc(Cl)c4)no3)C2)c1
InChIInChI=1S/C18H20ClN5O/c1-13-10-20-24(11-13)16-5-7-23(12-16)8-6-17-21-18(22-25-17)14-3-2-4-15(19)9-14/h2-4,9-11,16H,5-8,12H2,1H3
InChIKeyIGACSSWDLBDBEP-UHFFFAOYSA-N
XLogP3.38
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(3-chlorophenyl)-5-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

(3S)-1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidin-3-ol
CID 111448298
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923283
5-[[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 124751901
1-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]azepane
CID 126947336
2-methyl-4-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyridazin-3-one
CID 126947361
3-(3-chlorophenyl)-5-[[(3R)-3-phenylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 29084359
6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 43152107
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 42809096
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 38155254
2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111791621
N-methyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine
CID 119919242
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111612595

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chlorophenyl)-5-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole (CID 139003136) is 3-(3-chlorophenyl)-5-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chlorophenyl)-5-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chlorophenyl)-5-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole is Cc1cnn(C2CCN(CCc3nc(-c4cccc(Cl)c4)no3)C2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-5-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is IGACSSWDLBDBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c1-13-10-20-24(11-13)16-5-7-23(12-16)8-6-17-21-18(22-25-17)14-3-2-4-15(19)9-14/h2-4,9-11,16H,5-8,12H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-5-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole?
3-(3-chlorophenyl)-5-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 357.85 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 139003136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).