N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine

C14H10F3N3O — CID 175941233

IUPACN-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine
SMILESFC(F)(F)c1ccc(CNc2nc3ccccc3o2)cn1
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)12-6-5-9(7-18-12)8-19-13-20-10-3-1-2-4-11(10)21-13/h1-7H,8H2,(H,19,20)
InChIKeyATTYBMXRQHHFDW-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.85
Rot. Bonds3

About N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine

N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine (PubChem CID 175941233) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine
PubChem CID175941233
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC NameN-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine
SMILESFC(F)(F)c1ccc(CNc2nc3ccccc3o2)cn1
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)12-6-5-9(7-18-12)8-19-13-20-10-3-1-2-4-11(10)21-13/h1-7H,8H2,(H,19,20)
InChIKeyATTYBMXRQHHFDW-UHFFFAOYSA-N
XLogP3.85
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(ethoxymethyl)phenyl]methyl]-1,3-benzoxazol-2-amine
CID 34059746
N-[(3-fluorophenyl)methyl]-1,3-benzoxazol-2-amine
CID 47170554
tert-butyl N-[(Z)-3-fluoro-2-[[2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-1,3-benzoxazol-6-yl]oxymethyl]prop-2-enyl]carbamate
CID 166884364
3-[(1,3-benzoxazol-2-ylamino)methyl]phenol
CID 22241271
N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-2-amine
CID 60715920
N-(1,3-benzodioxol-5-ylmethyl)-1,3-benzoxazol-2-amine
CID 33286552
N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-benzoxazol-2-amine
CID 36597653
1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol
CID 63118851
N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine
CID 94424980
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-amine
CID 133275381
N-[(2-methoxy-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine
CID 24656847
2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidine-5-carbaldehyde
CID 58259308

Frequently Asked Questions

What is the IUPAC name of N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine (CID 175941233) is N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine is FC(F)(F)c1ccc(CNc2nc3ccccc3o2)cn1.
What is the InChIKey of N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine?
The InChIKey is ATTYBMXRQHHFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c15-14(16,17)12-6-5-9(7-18-12)8-19-13-20-10-3-1-2-4-11(10)21-13/h1-7H,8H2,(H,19,20).
What are the key properties of N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine?
N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine has a molecular weight of 293.25 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 175941233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).