(2-chloro-4-pyridinyl)-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone

C18H14ClFN4O2 — CID 87516317

IUPAC(2-chloro-4-pyridinyl)-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccnc(Cl)c1)N1CCCC1c1nnc(-c2ccccc2F)o1
InChIInChI=1S/C18H14ClFN4O2/c19-15-10-11(7-8-21-15)18(25)24-9-3-6-14(24)17-23-22-16(26-17)12-4-1-2-5-13(12)20/h1-2,4-5,7-8,10,14H,3,6,9H2
InChIKeyVCSQMFDZLZUKHI-UHFFFAOYSA-N
MW372.79 g/mol
LogP3.90
Rot. Bonds3

About (2-chloro-4-pyridinyl)-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone

(2-chloro-4-pyridinyl)-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 87516317) has the molecular formula C18H14ClFN4O2 and a molecular weight of 372.79 g/mol. Its IUPAC name is (2-chloro-4-pyridinyl)-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-pyridinyl)-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
PubChem CID87516317
Molecular FormulaC18H14ClFN4O2
Molecular Weight372.79 g/mol
Exact Mass372.08
IUPAC Name(2-chloro-4-pyridinyl)-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccnc(Cl)c1)N1CCCC1c1nnc(-c2ccccc2F)o1
InChIInChI=1S/C18H14ClFN4O2/c19-15-10-11(7-8-21-15)18(25)24-9-3-6-14(24)17-23-22-16(26-17)12-4-1-2-5-13(12)20/h1-2,4-5,7-8,10,14H,3,6,9H2
InChIKeyVCSQMFDZLZUKHI-UHFFFAOYSA-N
XLogP3.90
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.79
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl)-[2-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 10342625
1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one
CID 128993847
[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(2-chloro-4-pyridinyl)methanone
CID 38610096
(2,6-difluorophenyl)-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 10316214
1-[(2R)-2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 129325100
[3-fluoro-4-(trifluoromethyl)phenyl]-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 68615156
(2-fluorophenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 92598801
(4-fluoro-1H-indol-2-yl)-[(2R)-2-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 92576736
(2-fluoro-4-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 61294927
[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 138691153
(2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974569
(2-chloro-4-pyridinyl)-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone
CID 97081158

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-pyridinyl)-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-chloro-4-pyridinyl)-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone (CID 87516317) is (2-chloro-4-pyridinyl)-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-pyridinyl)-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-chloro-4-pyridinyl)-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone is O=C(c1ccnc(Cl)c1)N1CCCC1c1nnc(-c2ccccc2F)o1.
What is the InChIKey of (2-chloro-4-pyridinyl)-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is VCSQMFDZLZUKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O2/c19-15-10-11(7-8-21-15)18(25)24-9-3-6-14(24)17-23-22-16(26-17)12-4-1-2-5-13(12)20/h1-2,4-5,7-8,10,14H,3,6,9H2.
What are the key properties of (2-chloro-4-pyridinyl)-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?
(2-chloro-4-pyridinyl)-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 372.79 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-pyridinyl)-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 87516317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).