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

C19H15ClFN3O2 — CID 42765296

IUPAC[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCCC1c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C19H15ClFN3O2/c20-14-8-6-12(7-9-14)17-22-18(26-23-17)16-5-2-10-24(16)19(25)13-3-1-4-15(21)11-13/h1,3-4,6-9,11,16H,2,5,10H2
InChIKeyJRCSJNZENNYGFB-UHFFFAOYSA-N
MW371.80 g/mol
LogP4.51
Rot. Bonds3

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

[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 42765296) has the molecular formula C19H15ClFN3O2 and a molecular weight of 371.80 g/mol. Its IUPAC name is [2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone
PubChem CID42765296
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC Name[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCCC1c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C19H15ClFN3O2/c20-14-8-6-12(7-9-14)17-22-18(26-23-17)16-5-2-10-24(16)19(25)13-3-1-4-15(21)11-13/h1,3-4,6-9,11,16H,2,5,10H2
InChIKeyJRCSJNZENNYGFB-UHFFFAOYSA-N
XLogP4.51
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluorophenyl)-[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 7236954
(3-chlorophenyl)-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 5188678
(4-chlorophenyl)-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 4240880
(3-chlorophenyl)-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 5040853
(3-chlorophenyl)-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 7225630
[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4212102
(4-chlorophenyl)-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 3650782
(3-chlorophenyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 42760612
(2-chlorophenyl)-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 4528792
(5-chloro-2-fluorophenyl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 91916619
(4-fluorophenyl)-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 813072
[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-2-ylmethanone
CID 4241669

Frequently Asked Questions

What is the IUPAC name of [2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone (CID 42765296) is [2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)N1CCCC1c1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of [2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is JRCSJNZENNYGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c20-14-8-6-12(7-9-14)17-22-18(26-23-17)16-5-2-10-24(16)19(25)13-3-1-4-15(21)11-13/h1,3-4,6-9,11,16H,2,5,10H2.
What are the key properties of [2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone?
[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 371.80 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 42765296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).