2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole

C20H18ClF3N4O — CID 27207860

IUPAC2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole
SMILESFC(F)(F)c1cnc(N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)c(Cl)c1
InChIInChI=1S/C20H18ClF3N4O/c21-16-10-15(20(22,23)24)11-26-19(16)28-8-6-27(7-9-28)13-18-25-12-17(29-18)14-4-2-1-3-5-14/h1-5,10-12H,6-9,13H2
InChIKeyKYOFLHUHJVBSRT-UHFFFAOYSA-N
MW422.84 g/mol
LogP4.73
Rot. Bonds4

About 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole

2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole (PubChem CID 27207860) has the molecular formula C20H18ClF3N4O and a molecular weight of 422.84 g/mol. Its IUPAC name is 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole
PubChem CID27207860
Molecular FormulaC20H18ClF3N4O
Molecular Weight422.84 g/mol
Exact Mass422.11
IUPAC Name2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole
SMILESFC(F)(F)c1cnc(N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)c(Cl)c1
InChIInChI=1S/C20H18ClF3N4O/c21-16-10-15(20(22,23)24)11-26-19(16)28-8-6-27(7-9-28)13-18-25-12-17(29-18)14-4-2-1-3-5-14/h1-5,10-12H,6-9,13H2
InChIKeyKYOFLHUHJVBSRT-UHFFFAOYSA-N
XLogP4.73
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.84
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 2998677
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CID 72545310
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CID 90423199
CID 90423199
CID 5309347
CID 5309347
CID 15990121
CID 15990121
CID 16187311
CID 16187311
CID 16192406
CID 16192406
CID 16192476
CID 16192476
CID 16743760
CID 16743760
CID 162778541
CID 162778541

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole?
The IUPAC name of 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole (CID 27207860) is 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole is FC(F)(F)c1cnc(N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)c(Cl)c1.
What is the InChIKey of 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole?
The InChIKey is KYOFLHUHJVBSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N4O/c21-16-10-15(20(22,23)24)11-26-19(16)28-8-6-27(7-9-28)13-18-25-12-17(29-18)14-4-2-1-3-5-14/h1-5,10-12H,6-9,13H2.
What are the key properties of 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole?
2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole has a molecular weight of 422.84 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole is sourced from PubChem (CID 27207860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).