[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C20H18ClFN4O2 — CID 1203224

IUPAC[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H18ClFN4O2/c1-13-17(19(24-28-13)18-14(21)5-4-6-15(18)22)20(27)26-11-9-25(10-12-26)16-7-2-3-8-23-16/h2-8H,9-12H2,1H3
InChIKeyCCWYDHUCRJAQPD-UHFFFAOYSA-N
MW400.84 g/mol
LogP3.80
Rot. Bonds3

About [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 1203224) has the molecular formula C20H18ClFN4O2 and a molecular weight of 400.84 g/mol. Its IUPAC name is [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID1203224
Molecular FormulaC20H18ClFN4O2
Molecular Weight400.84 g/mol
Exact Mass400.11
IUPAC Name[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H18ClFN4O2/c1-13-17(19(24-28-13)18-14(21)5-4-6-15(18)22)20(27)26-11-9-25(10-12-26)16-7-2-3-8-23-16/h2-8H,9-12H2,1H3
InChIKeyCCWYDHUCRJAQPD-UHFFFAOYSA-N
XLogP3.80
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.84
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 1203224) is [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is CCWYDHUCRJAQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O2/c1-13-17(19(24-28-13)18-14(21)5-4-6-15(18)22)20(27)26-11-9-25(10-12-26)16-7-2-3-8-23-16/h2-8H,9-12H2,1H3.
What are the key properties of [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 400.84 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 1203224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).