5-[[3-chloro-4-(trifluoromethoxy)phenoxy]methyl]-1,2-benzoxazol-3-amine

C15H10ClF3N2O3 — CID 151731171

IUPAC5-[[3-chloro-4-(trifluoromethoxy)phenoxy]methyl]-1,2-benzoxazol-3-amine
SMILESNc1noc2ccc(COc3ccc(OC(F)(F)F)c(Cl)c3)cc12
InChIInChI=1S/C15H10ClF3N2O3/c16-11-6-9(2-4-13(11)23-15(17,18)19)22-7-8-1-3-12-10(5-8)14(20)21-24-12/h1-6H,7H2,(H2,20,21)
InChIKeyRKOZHYTVGIYCLE-UHFFFAOYSA-N
MW358.70 g/mol
LogP4.54
Rot. Bonds4

About 5-[[3-chloro-4-(trifluoromethoxy)phenoxy]methyl]-1,2-benzoxazol-3-amine

5-[[3-chloro-4-(trifluoromethoxy)phenoxy]methyl]-1,2-benzoxazol-3-amine (PubChem CID 151731171) has the molecular formula C15H10ClF3N2O3 and a molecular weight of 358.70 g/mol. Its IUPAC name is 5-[[3-chloro-4-(trifluoromethoxy)phenoxy]methyl]-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name5-[[3-chloro-4-(trifluoromethoxy)phenoxy]methyl]-1,2-benzoxazol-3-amine
PubChem CID151731171
Molecular FormulaC15H10ClF3N2O3
Molecular Weight358.70 g/mol
Exact Mass358.03
IUPAC Name5-[[3-chloro-4-(trifluoromethoxy)phenoxy]methyl]-1,2-benzoxazol-3-amine
SMILESNc1noc2ccc(COc3ccc(OC(F)(F)F)c(Cl)c3)cc12
InChIInChI=1S/C15H10ClF3N2O3/c16-11-6-9(2-4-13(11)23-15(17,18)19)22-7-8-1-3-12-10(5-8)14(20)21-24-12/h1-6H,7H2,(H2,20,21)
InChIKeyRKOZHYTVGIYCLE-UHFFFAOYSA-N
XLogP4.54
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.70
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-chlorophenoxy)methyl]-1,2-benzoxazol-3-amine
CID 10221194
N-[5-chloro-6-[[3-chloro-4-(trifluoromethoxy)phenoxy]methyl]-1,2-benzoxazol-3-yl]methanesulfinamide
CID 135244243
2-chloro-5-[(3,4-dichlorophenoxy)methyl]aniline
CID 63460490
ethane;5-ethyl-1,2-benzoxazol-3-amine
CID 143324107
2-bromo-4-[(3-chlorophenyl)methoxy]-1-(trifluoromethoxy)benzene
CID 102714778
2-[3-chloro-4-(trifluoromethoxy)phenyl]acetaldehyde
CID 146002660
2-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 107878038
2-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]aniline
CID 63880017
2-chloro-4-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine
CID 115696982
2-amino-3-[3-chloro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
CID 170892599
5-[(3,4-dichlorophenoxy)methyl]benzene-1,3-diamine
CID 18763424
4-[(3,4-dichlorophenoxy)methyl]pyridin-2-amine
CID 62466575

Frequently Asked Questions

What is the IUPAC name of 5-[[3-chloro-4-(trifluoromethoxy)phenoxy]methyl]-1,2-benzoxazol-3-amine?
The IUPAC name of 5-[[3-chloro-4-(trifluoromethoxy)phenoxy]methyl]-1,2-benzoxazol-3-amine (CID 151731171) is 5-[[3-chloro-4-(trifluoromethoxy)phenoxy]methyl]-1,2-benzoxazol-3-amine.
What is the SMILES notation for 5-[[3-chloro-4-(trifluoromethoxy)phenoxy]methyl]-1,2-benzoxazol-3-amine?
The canonical SMILES for 5-[[3-chloro-4-(trifluoromethoxy)phenoxy]methyl]-1,2-benzoxazol-3-amine is Nc1noc2ccc(COc3ccc(OC(F)(F)F)c(Cl)c3)cc12.
What is the InChIKey of 5-[[3-chloro-4-(trifluoromethoxy)phenoxy]methyl]-1,2-benzoxazol-3-amine?
The InChIKey is RKOZHYTVGIYCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O3/c16-11-6-9(2-4-13(11)23-15(17,18)19)22-7-8-1-3-12-10(5-8)14(20)21-24-12/h1-6H,7H2,(H2,20,21).
What are the key properties of 5-[[3-chloro-4-(trifluoromethoxy)phenoxy]methyl]-1,2-benzoxazol-3-amine?
5-[[3-chloro-4-(trifluoromethoxy)phenoxy]methyl]-1,2-benzoxazol-3-amine has a molecular weight of 358.70 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-chloro-4-(trifluoromethoxy)phenoxy]methyl]-1,2-benzoxazol-3-amine is sourced from PubChem (CID 151731171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).