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

C19H19F3N2O2 — CID 59652618

IUPAC3-[4-[[(4-methylphenyl)methylamino]methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESCc1ccc(CNCc2ccc(C3=NOC(O)(C(F)(F)F)C3)cc2)cc1
InChIInChI=1S/C19H19F3N2O2/c1-13-2-4-14(5-3-13)11-23-12-15-6-8-16(9-7-15)17-10-18(25,26-24-17)19(20,21)22/h2-9,23,25H,10-12H2,1H3
InChIKeyOZBVHOBZXNLWHH-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.66
Rot. Bonds5

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

3-[4-[[(4-methylphenyl)methylamino]methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 59652618) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 3-[4-[[(4-methylphenyl)methylamino]methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-[4-[[(4-methylphenyl)methylamino]methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID59652618
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name3-[4-[[(4-methylphenyl)methylamino]methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESCc1ccc(CNCc2ccc(C3=NOC(O)(C(F)(F)F)C3)cc2)cc1
InChIInChI=1S/C19H19F3N2O2/c1-13-2-4-14(5-3-13)11-23-12-15-6-8-16(9-7-15)17-10-18(25,26-24-17)19(20,21)22/h2-9,23,25H,10-12H2,1H3
InChIKeyOZBVHOBZXNLWHH-UHFFFAOYSA-N
XLogP3.66
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(4-methylphenyl)methylamino]methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-[4-[[(4-methylphenyl)methylamino]methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 59652618) is 3-[4-[[(4-methylphenyl)methylamino]methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-[4-[[(4-methylphenyl)methylamino]methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-[4-[[(4-methylphenyl)methylamino]methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is Cc1ccc(CNCc2ccc(C3=NOC(O)(C(F)(F)F)C3)cc2)cc1.
What is the InChIKey of 3-[4-[[(4-methylphenyl)methylamino]methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is OZBVHOBZXNLWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-13-2-4-14(5-3-13)11-23-12-15-6-8-16(9-7-15)17-10-18(25,26-24-17)19(20,21)22/h2-9,23,25H,10-12H2,1H3.
What are the key properties of 3-[4-[[(4-methylphenyl)methylamino]methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
3-[4-[[(4-methylphenyl)methylamino]methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 364.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(4-methylphenyl)methylamino]methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 59652618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).