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

C19H17ClFN5O2 — CID 87050160

IUPAC(5-chloro-2-fluorophenyl)-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCc1nnc(-c2cccnc2N2CCN(C(=O)c3cc(Cl)ccc3F)CC2)o1
InChIInChI=1S/C19H17ClFN5O2/c1-12-23-24-18(28-12)14-3-2-6-22-17(14)25-7-9-26(10-8-25)19(27)15-11-13(20)4-5-16(15)21/h2-6,11H,7-10H2,1H3
InChIKeyBESPFJSXCKNBNL-UHFFFAOYSA-N
MW401.83 g/mol
LogP3.19
Rot. Bonds3

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

(5-chloro-2-fluorophenyl)-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 87050160) has the molecular formula C19H17ClFN5O2 and a molecular weight of 401.83 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID87050160
Molecular FormulaC19H17ClFN5O2
Molecular Weight401.83 g/mol
Exact Mass401.11
IUPAC Name(5-chloro-2-fluorophenyl)-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCc1nnc(-c2cccnc2N2CCN(C(=O)c3cc(Cl)ccc3F)CC2)o1
InChIInChI=1S/C19H17ClFN5O2/c1-12-23-24-18(28-12)14-3-2-6-22-17(14)25-7-9-26(10-8-25)19(27)15-11-13(20)4-5-16(15)21/h2-6,11H,7-10H2,1H3
InChIKeyBESPFJSXCKNBNL-UHFFFAOYSA-N
XLogP3.19
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.83
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone (CID 87050160) is (5-chloro-2-fluorophenyl)-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone is Cc1nnc(-c2cccnc2N2CCN(C(=O)c3cc(Cl)ccc3F)CC2)o1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is BESPFJSXCKNBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN5O2/c1-12-23-24-18(28-12)14-3-2-6-22-17(14)25-7-9-26(10-8-25)19(27)15-11-13(20)4-5-16(15)21/h2-6,11H,7-10H2,1H3.
What are the key properties of (5-chloro-2-fluorophenyl)-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone?
(5-chloro-2-fluorophenyl)-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 401.83 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 87050160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).