[2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1,3-benzoxazol-7-yl]methanamine

C18H17F3N2O2 — CID 142503923

IUPAC[2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1,3-benzoxazol-7-yl]methanamine
SMILESCC(C)c1nc2c(Oc3ccc(C(F)(F)F)cc3)ccc(CN)c2o1
InChIInChI=1S/C18H17F3N2O2/c1-10(2)17-23-15-14(8-3-11(9-22)16(15)25-17)24-13-6-4-12(5-7-13)18(19,20)21/h3-8,10H,9,22H2,1-2H3
InChIKeyONJWMNGUEBLHGV-UHFFFAOYSA-N
MW350.34 g/mol
LogP5.22
Rot. Bonds4

About [2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1,3-benzoxazol-7-yl]methanamine

[2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1,3-benzoxazol-7-yl]methanamine (PubChem CID 142503923) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is [2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1,3-benzoxazol-7-yl]methanamine.

Molecular Properties

Compound Name[2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1,3-benzoxazol-7-yl]methanamine
PubChem CID142503923
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name[2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1,3-benzoxazol-7-yl]methanamine
SMILESCC(C)c1nc2c(Oc3ccc(C(F)(F)F)cc3)ccc(CN)c2o1
InChIInChI=1S/C18H17F3N2O2/c1-10(2)17-23-15-14(8-3-11(9-22)16(15)25-17)24-13-6-4-12(5-7-13)18(19,20)21/h3-8,10H,9,22H2,1-2H3
InChIKeyONJWMNGUEBLHGV-UHFFFAOYSA-N
XLogP5.22
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.34
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1,3-benzoxazole
CID 151718922
[3-methyl-8-[4-(trifluoromethyl)phenoxy]quinolin-5-yl]methanamine
CID 135373975
[2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indol-7-yl]methanamine
CID 174993371
[4-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 114900818
[7-(aminomethyl)-2-methyl-1,3-benzoxazol-4-yl]-[4-(trifluoromethyl)phenyl]methanol
CID 142503907
7-(aminomethyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine
CID 142503957
[4-methyl-2-[4-(trifluoromethyl)phenoxy]pyrimidin-5-yl]methanamine
CID 83189114
5-(aminomethyl)-8-[4-(trifluoromethyl)phenoxy]-1H-quinolin-2-one
CID 135373649
[4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 3809622
[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methanamine
CID 135373987
[2-(4-methoxyphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79874080
[2-butoxy-5-(trifluoromethyl)phenyl]methanamine
CID 43267438

Frequently Asked Questions

What is the IUPAC name of [2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1,3-benzoxazol-7-yl]methanamine?
The IUPAC name of [2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1,3-benzoxazol-7-yl]methanamine (CID 142503923) is [2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1,3-benzoxazol-7-yl]methanamine.
What is the SMILES notation for [2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1,3-benzoxazol-7-yl]methanamine?
The canonical SMILES for [2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1,3-benzoxazol-7-yl]methanamine is CC(C)c1nc2c(Oc3ccc(C(F)(F)F)cc3)ccc(CN)c2o1.
What is the InChIKey of [2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1,3-benzoxazol-7-yl]methanamine?
The InChIKey is ONJWMNGUEBLHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-10(2)17-23-15-14(8-3-11(9-22)16(15)25-17)24-13-6-4-12(5-7-13)18(19,20)21/h3-8,10H,9,22H2,1-2H3.
What are the key properties of [2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1,3-benzoxazol-7-yl]methanamine?
[2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1,3-benzoxazol-7-yl]methanamine has a molecular weight of 350.34 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1,3-benzoxazol-7-yl]methanamine is sourced from PubChem (CID 142503923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).