[5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C19H17ClFN5O2 — CID 22432240

IUPAC[5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1nnc(Cc2ccc(F)cc2Cl)o1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H17ClFN5O2/c20-15-12-14(21)5-4-13(15)11-17-23-24-18(28-17)19(27)26-9-7-25(8-10-26)16-3-1-2-6-22-16/h1-6,12H,7-11H2
InChIKeyCAGFDFDDYFHSJH-UHFFFAOYSA-N
MW401.83 g/mol
LogP2.81
Rot. Bonds4

About [5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 22432240) has the molecular formula C19H17ClFN5O2 and a molecular weight of 401.83 g/mol. Its IUPAC name is [5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID22432240
Molecular FormulaC19H17ClFN5O2
Molecular Weight401.83 g/mol
Exact Mass401.11
IUPAC Name[5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1nnc(Cc2ccc(F)cc2Cl)o1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H17ClFN5O2/c20-15-12-14(21)5-4-13(15)11-17-23-24-18(28-17)19(27)26-9-7-25(8-10-26)16-3-1-2-6-22-16/h1-6,12H,7-11H2
InChIKeyCAGFDFDDYFHSJH-UHFFFAOYSA-N
XLogP2.81
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.83
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 2998677
5-(2-chloro-6-fluorobenzyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 666624
2-(3-Chlorophenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 15990121
3-[[5-[2-(4-Chlorophenyl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 127033094
5-benzyl-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide
CID 130299049
(5-Phenyl-1,3,4-oxadiazol-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 2813969
5-benzyl-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide
CID 130299155
5-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 23004477
5-[(2-chloro-4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431759
5-[(2-chloro-4-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431770
5-[(2-Chloro-4-fluorophenyl)methyl]-N-[(pyridin-3-YL)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22432286
1-[(3-Chlorophenyl)[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-YL]methyl]-4-(pyridin-2-YL)piperazine
CID 22433681

Frequently Asked Questions

What is the IUPAC name of [5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 22432240) is [5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1nnc(Cc2ccc(F)cc2Cl)o1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of [5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is CAGFDFDDYFHSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN5O2/c20-15-12-14(21)5-4-13(15)11-17-23-24-18(28-17)19(27)26-9-7-25(8-10-26)16-3-1-2-6-22-16/h1-6,12H,7-11H2.
What are the key properties of [5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 401.83 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 22432240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).