[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]methanamine

C15H11F3N2O — CID 82357703

IUPAC[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]methanamine
SMILESNCc1ccc2oc(-c3ccc(C(F)(F)F)cc3)nc2c1
InChIInChI=1S/C15H11F3N2O/c16-15(17,18)11-4-2-10(3-5-11)14-20-12-7-9(8-19)1-6-13(12)21-14/h1-7H,8,19H2
InChIKeyCNTHBTOFHOWZJX-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.97
Rot. Bonds2

About [2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]methanamine

[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]methanamine (PubChem CID 82357703) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is [2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]methanamine
PubChem CID82357703
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]methanamine
SMILESNCc1ccc2oc(-c3ccc(C(F)(F)F)cc3)nc2c1
InChIInChI=1S/C15H11F3N2O/c16-15(17,18)11-4-2-10(3-5-11)14-20-12-7-9(8-19)1-6-13(12)21-14/h1-7H,8,19H2
InChIKeyCNTHBTOFHOWZJX-UHFFFAOYSA-N
XLogP3.97
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]methanamine
CID 81198834
2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carbaldehyde
CID 145125429
2-(4-methylphenyl)-7-[2-[4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-7-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
CID 170372832
[2-(aminomethyl)-1,3-benzoxazol-5-yl]methanamine
CID 83949465
4-[5-[[2-(4-aminophenyl)-1,3-benzoxazol-5-yl]methyl]-1,3-benzoxazol-2-yl]aniline
CID 1160387
(4-benzo[f][1,3]benzoxazol-2-ylphenyl)methanamine
CID 130449908
[4-(5-methylsulfonyl-1,3-benzoxazol-2-yl)phenyl]methanamine
CID 81422815
2-(4-ethylsulfinylphenyl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 118035627
2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine
CID 43665734
2-[4-(fluoromethyl)phenyl]-1,3-benzoxazol-5-amine
CID 168857392
3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propan-1-amine
CID 82298467
5-(1,1,2,2,2-pentafluoroethyl)-2-pyridin-4-yl-1,3-benzoxazole
CID 86651046

Frequently Asked Questions

What is the IUPAC name of [2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]methanamine?
The IUPAC name of [2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]methanamine (CID 82357703) is [2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]methanamine.
What is the SMILES notation for [2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]methanamine?
The canonical SMILES for [2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]methanamine is NCc1ccc2oc(-c3ccc(C(F)(F)F)cc3)nc2c1.
What is the InChIKey of [2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]methanamine?
The InChIKey is CNTHBTOFHOWZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c16-15(17,18)11-4-2-10(3-5-11)14-20-12-7-9(8-19)1-6-13(12)21-14/h1-7H,8,19H2.
What are the key properties of [2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]methanamine?
[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]methanamine has a molecular weight of 292.26 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]methanamine is sourced from PubChem (CID 82357703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).