2-(3-chlorophenyl)-5-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]-1,3,4-oxadiazole

C18H17ClN4O — CID 166257381

IUPAC2-(3-chlorophenyl)-5-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]-1,3,4-oxadiazole
SMILESCc1ccncc1C1CCN(c2nnc(-c3cccc(Cl)c3)o2)C1
InChIInChI=1S/C18H17ClN4O/c1-12-5-7-20-10-16(12)14-6-8-23(11-14)18-22-21-17(24-18)13-3-2-4-15(19)9-13/h2-5,7,9-10,14H,6,8,11H2,1H3
InChIKeyATRGVBMKKHKUTH-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.09
Rot. Bonds3

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

2-(3-chlorophenyl)-5-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]-1,3,4-oxadiazole (PubChem CID 166257381) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]-1,3,4-oxadiazole
PubChem CID166257381
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name2-(3-chlorophenyl)-5-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]-1,3,4-oxadiazole
SMILESCc1ccncc1C1CCN(c2nnc(-c3cccc(Cl)c3)o2)C1
InChIInChI=1S/C18H17ClN4O/c1-12-5-7-20-10-16(12)14-6-8-23(11-14)18-22-21-17(24-18)13-3-2-4-15(19)9-13/h2-5,7,9-10,14H,6,8,11H2,1H3
InChIKeyATRGVBMKKHKUTH-UHFFFAOYSA-N
XLogP4.09
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-chlorophenyl)-5-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]-1,3,4-oxadiazole (CID 166257381) is 2-(3-chlorophenyl)-5-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-chlorophenyl)-5-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-chlorophenyl)-5-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]-1,3,4-oxadiazole is Cc1ccncc1C1CCN(c2nnc(-c3cccc(Cl)c3)o2)C1.
What is the InChIKey of 2-(3-chlorophenyl)-5-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]-1,3,4-oxadiazole?
The InChIKey is ATRGVBMKKHKUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-12-5-7-20-10-16(12)14-6-8-23(11-14)18-22-21-17(24-18)13-3-2-4-15(19)9-13/h2-5,7,9-10,14H,6,8,11H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-5-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]-1,3,4-oxadiazole?
2-(3-chlorophenyl)-5-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]-1,3,4-oxadiazole has a molecular weight of 340.81 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 166257381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).