3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol

C15H16ClF3N2O2 — CID 111109909

IUPAC3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESOCCCN(Cc1ncc(-c2ccc(Cl)cc2)o1)CC(F)(F)F
InChIInChI=1S/C15H16ClF3N2O2/c16-12-4-2-11(3-5-12)13-8-20-14(23-13)9-21(6-1-7-22)10-15(17,18)19/h2-5,8,22H,1,6-7,9-10H2
InChIKeyPYKMIKJEFPQIQF-UHFFFAOYSA-N
MW348.75 g/mol
LogP3.74
Rot. Bonds7

About 3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol

3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol (PubChem CID 111109909) has the molecular formula C15H16ClF3N2O2 and a molecular weight of 348.75 g/mol. Its IUPAC name is 3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
PubChem CID111109909
Molecular FormulaC15H16ClF3N2O2
Molecular Weight348.75 g/mol
Exact Mass348.09
IUPAC Name3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESOCCCN(Cc1ncc(-c2ccc(Cl)cc2)o1)CC(F)(F)F
InChIInChI=1S/C15H16ClF3N2O2/c16-12-4-2-11(3-5-12)13-8-20-14(23-13)9-21(6-1-7-22)10-15(17,18)19/h2-5,8,22H,1,6-7,9-10H2
InChIKeyPYKMIKJEFPQIQF-UHFFFAOYSA-N
XLogP3.74
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.75
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol with MolForge

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Related Compounds

2-(4-Chlorophenyl)-5-phenyl-1,3-oxazole
CID 259758
2-(Chloromethyl)-5-(4-chlorophenyl)-1,3-oxazole
CID 736966
7-[5-[4-(4-chlorophenyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxyheptanamide
CID 9952732
(S)-2-(1-((S)-1-carboxy-2-(5-(4-chlorophenyl)oxazol-2-yl)ethylcarbamoyl)cyclopentylamino)-4-methoxybutanoic acid
CID 54587647
5-(4-Chlorophenyl)-1,3-oxazole
CID 12871523
(5-Phenyl-1,3-oxazol-2-yl)methanol
CID 43558917
3-[5-(4-Chlorophenyl)-1,3-oxazol-2-yl]propanoic acid
CID 16044717
2-Oxazolemethanamine, 5-(4-chlorophenyl)-, monohydrochloride
CID 3049264
2-Oxazolemethanamine, 5-(2-chlorophenyl)-N-ethyl-
CID 3049280
2-Oxazolemethanamine, 5-(4-chlorophenyl)-N-ethyl-, monohydrochloride
CID 3049301
(5-(4-Chlorophenyl)-1,3-oxazol-2-yl)methanol
CID 21290727
5-(2-Chlorophenyl)-N-Hydroxy-1,3-Oxazole-2-Carboxamide
CID 57149562

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol?
The IUPAC name of 3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol (CID 111109909) is 3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol?
The canonical SMILES for 3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol is OCCCN(Cc1ncc(-c2ccc(Cl)cc2)o1)CC(F)(F)F.
What is the InChIKey of 3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol?
The InChIKey is PYKMIKJEFPQIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N2O2/c16-12-4-2-11(3-5-12)13-8-20-14(23-13)9-21(6-1-7-22)10-15(17,18)19/h2-5,8,22H,1,6-7,9-10H2.
What are the key properties of 3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol?
3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol has a molecular weight of 348.75 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol is sourced from PubChem (CID 111109909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).