cyclohexyl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone

C18H22N4O2 — CID 51137840

IUPACcyclohexyl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CC[C@H](c2nnc(-c3cccnc3)o2)C1
InChIInChI=1S/C18H22N4O2/c23-18(13-5-2-1-3-6-13)22-10-8-15(12-22)17-21-20-16(24-17)14-7-4-9-19-11-14/h4,7,9,11,13,15H,1-3,5-6,8,10,12H2/t15-/m0/s1
InChIKeyGCGRENOWVQCLPT-HNNXBMFYSA-N
MW326.40 g/mol
LogP3.03
Rot. Bonds3

About cyclohexyl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone

cyclohexyl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 51137840) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is cyclohexyl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID51137840
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Namecyclohexyl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CC[C@H](c2nnc(-c3cccnc3)o2)C1
InChIInChI=1S/C18H22N4O2/c23-18(13-5-2-1-3-6-13)22-10-8-15(12-22)17-21-20-16(24-17)14-7-4-9-19-11-14/h4,7,9,11,13,15H,1-3,5-6,8,10,12H2/t15-/m0/s1
InChIKeyGCGRENOWVQCLPT-HNNXBMFYSA-N
XLogP3.03
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92897675
pyrazin-2-yl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 51137843
cyclohexyl-[3-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 75615772
2-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 95849758
3-(1-methylindol-3-yl)-1-[(3R)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 92566845
cyclopropyl-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 75615760
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 110236000
pyridin-4-yl-[(3S)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 51137853
2-[(3S)-1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 92570977
cyclopropyl-[4-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 99963492
2-[4-oxo-4-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one
CID 131954067
[3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 75615733

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone (CID 51137840) is cyclohexyl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone is O=C(C1CCCCC1)N1CC[C@H](c2nnc(-c3cccnc3)o2)C1.
What is the InChIKey of cyclohexyl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is GCGRENOWVQCLPT-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-18(13-5-2-1-3-6-13)22-10-8-15(12-22)17-21-20-16(24-17)14-7-4-9-19-11-14/h4,7,9,11,13,15H,1-3,5-6,8,10,12H2/t15-/m0/s1.
What are the key properties of cyclohexyl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
cyclohexyl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 326.40 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 51137840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).