3-[4-[(2-chloroimidazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

C14H11ClF3N3O2 — CID 155413144

IUPAC3-[4-[(2-chloroimidazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccc(Cn3ccnc3Cl)cc2)=NO1
InChIInChI=1S/C14H11ClF3N3O2/c15-12-19-5-6-21(12)8-9-1-3-10(4-2-9)11-7-13(22,23-20-11)14(16,17)18/h1-6,22H,7-8H2
InChIKeyKGTFCGVFTOLEOB-UHFFFAOYSA-N
MW345.71 g/mol
LogP2.96
Rot. Bonds3

About 3-[4-[(2-chloroimidazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

3-[4-[(2-chloroimidazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 155413144) has the molecular formula C14H11ClF3N3O2 and a molecular weight of 345.71 g/mol. Its IUPAC name is 3-[4-[(2-chloroimidazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-[4-[(2-chloroimidazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID155413144
Molecular FormulaC14H11ClF3N3O2
Molecular Weight345.71 g/mol
Exact Mass345.05
IUPAC Name3-[4-[(2-chloroimidazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccc(Cn3ccnc3Cl)cc2)=NO1
InChIInChI=1S/C14H11ClF3N3O2/c15-12-19-5-6-21(12)8-9-1-3-10(4-2-9)11-7-13(22,23-20-11)14(16,17)18/h1-6,22H,7-8H2
InChIKeyKGTFCGVFTOLEOB-UHFFFAOYSA-N
XLogP2.96
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.71
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155744106
3-[4-[(2-benzylpyrazol-3-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155412880
3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155744115
3-[4-[[(4-methylphenyl)methylamino]methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 59652618
3-(4-thiophen-3-ylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155413892
3-[4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155414103
3-(4-pyrimidin-5-ylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 142608931
5-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]thiophene-2-carbaldehyde
CID 155413109
3-[4-[(2-phenylpyrazol-3-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155413393
3-(4-phenylsulfanylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155413344
(5S)-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 1364720
4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]benzaldehyde
CID 155412938

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-chloroimidazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-[4-[(2-chloroimidazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 155413144) is 3-[4-[(2-chloroimidazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-[4-[(2-chloroimidazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-[4-[(2-chloroimidazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is OC1(C(F)(F)F)CC(c2ccc(Cn3ccnc3Cl)cc2)=NO1.
What is the InChIKey of 3-[4-[(2-chloroimidazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is KGTFCGVFTOLEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N3O2/c15-12-19-5-6-21(12)8-9-1-3-10(4-2-9)11-7-13(22,23-20-11)14(16,17)18/h1-6,22H,7-8H2.
What are the key properties of 3-[4-[(2-chloroimidazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
3-[4-[(2-chloroimidazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 345.71 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-chloroimidazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 155413144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).