2-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole

C18H24N4O — CID 51137328

IUPAC2-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESc1cncc(-c2nnc([C@H]3CCN(CC4CCCCC4)C3)o2)c1
InChIInChI=1S/C18H24N4O/c1-2-5-14(6-3-1)12-22-10-8-16(13-22)18-21-20-17(23-18)15-7-4-9-19-11-15/h4,7,9,11,14,16H,1-3,5-6,8,10,12-13H2/t16-/m0/s1
InChIKeyMVUZBINHQKDTEX-INIZCTEOSA-N
MW312.42 g/mol
LogP3.50
Rot. Bonds4

About 2-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole

2-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 51137328) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID51137328
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESc1cncc(-c2nnc([C@H]3CCN(CC4CCCCC4)C3)o2)c1
InChIInChI=1S/C18H24N4O/c1-2-5-14(6-3-1)12-22-10-8-16(13-22)18-21-20-17(23-18)15-7-4-9-19-11-15/h4,7,9,11,14,16H,1-3,5-6,8,10,12-13H2/t16-/m0/s1
InChIKeyMVUZBINHQKDTEX-INIZCTEOSA-N
XLogP3.50
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 51137328) is 2-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole is c1cncc(-c2nnc([C@H]3CCN(CC4CCCCC4)C3)o2)c1.
What is the InChIKey of 2-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is MVUZBINHQKDTEX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4O/c1-2-5-14(6-3-1)12-22-10-8-16(13-22)18-21-20-17(23-18)15-7-4-9-19-11-15/h4,7,9,11,14,16H,1-3,5-6,8,10,12-13H2/t16-/m0/s1.
What are the key properties of 2-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
2-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 312.42 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 51137328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).