2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol

C14H15F3N2O2 — CID 106371948

IUPAC2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESCc1cnc(CNCC(O)c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C14H15F3N2O2/c1-9-6-19-13(21-9)8-18-7-12(20)10-2-4-11(5-3-10)14(15,16)17/h2-6,12,18,20H,7-8H2,1H3
InChIKeyBKTCEPCYPAOCAC-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.83
Rot. Bonds5

About 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol

2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 106371948) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID106371948
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESCc1cnc(CNCC(O)c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C14H15F3N2O2/c1-9-6-19-13(21-9)8-18-7-12(20)10-2-4-11(5-3-10)14(15,16)17/h2-6,12,18,20H,7-8H2,1H3
InChIKeyBKTCEPCYPAOCAC-UHFFFAOYSA-N
XLogP2.83
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-difluorophenyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanol
CID 106371980
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 103912999
2-(pyridin-4-ylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60899811
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
5-methyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole
CID 117187958
(2R)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 100757725
2-(cyclobutylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60901206
1-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-methylpentan-2-ol
CID 106292709
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 103738802
(1R)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 95348037
(1S)-2-[(2-methoxyphenyl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 46893460
(1S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 175152701

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol (CID 106371948) is 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol is Cc1cnc(CNCC(O)c2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is BKTCEPCYPAOCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-9-6-19-13(21-9)8-18-7-12(20)10-2-4-11(5-3-10)14(15,16)17/h2-6,12,18,20H,7-8H2,1H3.
What are the key properties of 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol?
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 300.28 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 106371948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).