[2-[5-chloro-6-[1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol

C20H16ClF3N4O2 — CID 71014655

IUPAC[2-[5-chloro-6-[1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol
SMILESOCc1coc(-c2cnc(C3C=CN(c4ccc(C(F)(F)F)cn4)CC3)c(Cl)c2)n1
InChIInChI=1S/C20H16ClF3N4O2/c21-16-7-13(19-27-15(10-29)11-30-19)8-26-18(16)12-3-5-28(6-4-12)17-2-1-14(9-25-17)20(22,23)24/h1-3,5,7-9,11-12,29H,4,6,10H2
InChIKeyJDLULDMWWASCRA-UHFFFAOYSA-N
MW436.82 g/mol
LogP4.80
Rot. Bonds4

About [2-[5-chloro-6-[1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol

[2-[5-chloro-6-[1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol (PubChem CID 71014655) has the molecular formula C20H16ClF3N4O2 and a molecular weight of 436.82 g/mol. Its IUPAC name is [2-[5-chloro-6-[1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[5-chloro-6-[1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol
PubChem CID71014655
Molecular FormulaC20H16ClF3N4O2
Molecular Weight436.82 g/mol
Exact Mass436.09
IUPAC Name[2-[5-chloro-6-[1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol
SMILESOCc1coc(-c2cnc(C3C=CN(c4ccc(C(F)(F)F)cn4)CC3)c(Cl)c2)n1
InChIInChI=1S/C20H16ClF3N4O2/c21-16-7-13(19-27-15(10-29)11-30-19)8-26-18(16)12-3-5-28(6-4-12)17-2-1-14(9-25-17)20(22,23)24/h1-3,5,7-9,11-12,29H,4,6,10H2
InChIKeyJDLULDMWWASCRA-UHFFFAOYSA-N
XLogP4.80
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.82
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[5-chloro-6-[1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]pyridin-2-yl]-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 71014687
4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]pyridin-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71042662
4-[3-chloro-5-[2-(hydroxymethyl)-1,3-oxazol-5-yl]pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71042663
2-(2-Chlorophenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 48392492
(2R)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 58431589
2-[6-[4-[Hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58431604
2-[6-[4-(2-Hydroxyacetyl)piperazin-1-yl]-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58431606
(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone
CID 58431645
2-[6-[4-[4-Chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58431650
2-(4-Chlorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 58431667
(2S)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 58431669
2-[6-[4-(3-Chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58431682

Frequently Asked Questions

What is the IUPAC name of [2-[5-chloro-6-[1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol?
The IUPAC name of [2-[5-chloro-6-[1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol (CID 71014655) is [2-[5-chloro-6-[1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [2-[5-chloro-6-[1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [2-[5-chloro-6-[1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol is OCc1coc(-c2cnc(C3C=CN(c4ccc(C(F)(F)F)cn4)CC3)c(Cl)c2)n1.
What is the InChIKey of [2-[5-chloro-6-[1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol?
The InChIKey is JDLULDMWWASCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N4O2/c21-16-7-13(19-27-15(10-29)11-30-19)8-26-18(16)12-3-5-28(6-4-12)17-2-1-14(9-25-17)20(22,23)24/h1-3,5,7-9,11-12,29H,4,6,10H2.
What are the key properties of [2-[5-chloro-6-[1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol?
[2-[5-chloro-6-[1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol has a molecular weight of 436.82 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-chloro-6-[1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 71014655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).