5-amino-2-[5-(trifluoromethoxy)-1,3-benzoxazol-2-yl]phenol

C14H9F3N2O3 — CID 135949417

IUPAC5-amino-2-[5-(trifluoromethoxy)-1,3-benzoxazol-2-yl]phenol
SMILESNc1ccc(-c2nc3cc(OC(F)(F)F)ccc3o2)c(O)c1
InChIInChI=1S/C14H9F3N2O3/c15-14(16,17)22-8-2-4-12-10(6-8)19-13(21-12)9-3-1-7(18)5-11(9)20/h1-6,20H,18H2
InChIKeyKZIGBTGEMMSRQJ-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.68
Rot. Bonds2

About 5-amino-2-[5-(trifluoromethoxy)-1,3-benzoxazol-2-yl]phenol

5-amino-2-[5-(trifluoromethoxy)-1,3-benzoxazol-2-yl]phenol (PubChem CID 135949417) has the molecular formula C14H9F3N2O3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 5-amino-2-[5-(trifluoromethoxy)-1,3-benzoxazol-2-yl]phenol.

Molecular Properties

Compound Name5-amino-2-[5-(trifluoromethoxy)-1,3-benzoxazol-2-yl]phenol
PubChem CID135949417
Molecular FormulaC14H9F3N2O3
Molecular Weight310.23 g/mol
Exact Mass310.06
IUPAC Name5-amino-2-[5-(trifluoromethoxy)-1,3-benzoxazol-2-yl]phenol
SMILESNc1ccc(-c2nc3cc(OC(F)(F)F)ccc3o2)c(O)c1
InChIInChI=1S/C14H9F3N2O3/c15-14(16,17)22-8-2-4-12-10(6-8)19-13(21-12)9-3-1-7(18)5-11(9)20/h1-6,20H,18H2
InChIKeyKZIGBTGEMMSRQJ-UHFFFAOYSA-N
XLogP3.68
TPSA81.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 817160
2-(5-amino-1,3-benzoxazol-2-yl)-5-methylphenol
CID 136802404
5-amino-2-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenol
CID 136689049
2-(5-amino-1,3-benzoxazol-2-yl)-5-(5-methyl-1,3-benzoxazol-2-yl)benzene-1,4-diol
CID 157482621
4-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 653891
2-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazole-5-carboxylic acid
CID 11688381
2-bromo-1-[5-(trifluoromethoxy)-1,3-benzoxazol-2-yl]ethanone
CID 170837803
4-(5-ethyl-1,3-benzoxazol-2-yl)-3-fluoroaniline
CID 107795668
5-fluoro-2-(5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 102696750
2-[3-(trifluoromethoxy)phenyl]-1,3-benzoxazole-5-carboxylic acid
CID 59828547
4-fluoro-2-(5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 102697020
3-bromo-4-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 95910780

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[5-(trifluoromethoxy)-1,3-benzoxazol-2-yl]phenol?
The IUPAC name of 5-amino-2-[5-(trifluoromethoxy)-1,3-benzoxazol-2-yl]phenol (CID 135949417) is 5-amino-2-[5-(trifluoromethoxy)-1,3-benzoxazol-2-yl]phenol.
What is the SMILES notation for 5-amino-2-[5-(trifluoromethoxy)-1,3-benzoxazol-2-yl]phenol?
The canonical SMILES for 5-amino-2-[5-(trifluoromethoxy)-1,3-benzoxazol-2-yl]phenol is Nc1ccc(-c2nc3cc(OC(F)(F)F)ccc3o2)c(O)c1.
What is the InChIKey of 5-amino-2-[5-(trifluoromethoxy)-1,3-benzoxazol-2-yl]phenol?
The InChIKey is KZIGBTGEMMSRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O3/c15-14(16,17)22-8-2-4-12-10(6-8)19-13(21-12)9-3-1-7(18)5-11(9)20/h1-6,20H,18H2.
What are the key properties of 5-amino-2-[5-(trifluoromethoxy)-1,3-benzoxazol-2-yl]phenol?
5-amino-2-[5-(trifluoromethoxy)-1,3-benzoxazol-2-yl]phenol has a molecular weight of 310.23 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[5-(trifluoromethoxy)-1,3-benzoxazol-2-yl]phenol is sourced from PubChem (CID 135949417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).