[6-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]methanamine

C14H10F3N3O — CID 81198834

IUPAC[6-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]methanamine
SMILESNCc1ccc(-c2nc3cc(C(F)(F)F)ccc3o2)nc1
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)9-2-4-12-11(5-9)20-13(21-12)10-3-1-8(6-18)7-19-10/h1-5,7H,6,18H2
InChIKeyYHVFANQXZLMHCQ-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.37
Rot. Bonds2

About [6-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]methanamine

[6-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]methanamine (PubChem CID 81198834) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is [6-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]methanamine
PubChem CID81198834
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name[6-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]methanamine
SMILESNCc1ccc(-c2nc3cc(C(F)(F)F)ccc3o2)nc1
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)9-2-4-12-11(5-9)20-13(21-12)10-3-1-8(6-18)7-19-10/h1-5,7H,6,18H2
InChIKeyYHVFANQXZLMHCQ-UHFFFAOYSA-N
XLogP3.37
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]methanamine?
The IUPAC name of [6-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]methanamine (CID 81198834) is [6-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]methanamine.
What is the SMILES notation for [6-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]methanamine?
The canonical SMILES for [6-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]methanamine is NCc1ccc(-c2nc3cc(C(F)(F)F)ccc3o2)nc1.
What is the InChIKey of [6-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]methanamine?
The InChIKey is YHVFANQXZLMHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c15-14(16,17)9-2-4-12-11(5-9)20-13(21-12)10-3-1-8(6-18)7-19-10/h1-5,7H,6,18H2.
What are the key properties of [6-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]methanamine?
[6-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]methanamine has a molecular weight of 293.25 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 81198834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).