N-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-amine

C14H9F3N2O2 — CID 626332

IUPACN-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-amine
SMILESFC(F)(F)Oc1ccc(Nc2nc3ccccc3o2)cc1
InChIInChI=1S/C14H9F3N2O2/c15-14(16,17)21-10-7-5-9(6-8-10)18-13-19-11-3-1-2-4-12(11)20-13/h1-8H,(H,18,19)
InChIKeyTUDUALIEOULJQQ-UHFFFAOYSA-N
MW294.23 g/mol
LogP4.47
Rot. Bonds3

About N-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-amine

N-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-amine (PubChem CID 626332) has the molecular formula C14H9F3N2O2 and a molecular weight of 294.23 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-amine
PubChem CID626332
Molecular FormulaC14H9F3N2O2
Molecular Weight294.23 g/mol
Exact Mass294.06
IUPAC NameN-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-amine
SMILESFC(F)(F)Oc1ccc(Nc2nc3ccccc3o2)cc1
InChIInChI=1S/C14H9F3N2O2/c15-14(16,17)21-10-7-5-9(6-8-10)18-13-19-11-3-1-2-4-12(11)20-13/h1-8H,(H,18,19)
InChIKeyTUDUALIEOULJQQ-UHFFFAOYSA-N
XLogP4.47
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-amine (CID 626332) is N-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-amine is FC(F)(F)Oc1ccc(Nc2nc3ccccc3o2)cc1.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-amine?
The InChIKey is TUDUALIEOULJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O2/c15-14(16,17)21-10-7-5-9(6-8-10)18-13-19-11-3-1-2-4-12(11)20-13/h1-8H,(H,18,19).
What are the key properties of N-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-amine?
N-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-amine has a molecular weight of 294.23 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 626332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).