2-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridin-4-amine

C16H12F3N3O2 — CID 68792608

IUPAC2-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridin-4-amine
SMILESCOc1cccc(C(F)(F)F)c1-c1cc(-c2cc(N)ccn2)on1
InChIInChI=1S/C16H12F3N3O2/c1-23-13-4-2-3-10(16(17,18)19)15(13)12-8-14(24-22-12)11-7-9(20)5-6-21-11/h2-8H,1H3,(H2,20,21)
InChIKeyRKCHYLCQOSECRJ-UHFFFAOYSA-N
MW335.29 g/mol
LogP4.01
Rot. Bonds3

About 2-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridin-4-amine

2-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridin-4-amine (PubChem CID 68792608) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 2-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridin-4-amine.

Molecular Properties

Compound Name2-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridin-4-amine
PubChem CID68792608
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Name2-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridin-4-amine
SMILESCOc1cccc(C(F)(F)F)c1-c1cc(-c2cc(N)ccn2)on1
InChIInChI=1S/C16H12F3N3O2/c1-23-13-4-2-3-10(16(17,18)19)15(13)12-8-14(24-22-12)11-7-9(20)5-6-21-11/h2-8H,1H3,(H2,20,21)
InChIKeyRKCHYLCQOSECRJ-UHFFFAOYSA-N
XLogP4.01
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 117398617
2-[7-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-4-amine
CID 115113737
2-(7-methoxy-1-benzofuran-2-yl)pyridin-4-amine
CID 115113768
2,2-dichloro-N-[5-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-3-pyridinyl]acetamide
CID 10388846
2-(7-methoxy-1-methylindol-2-yl)pyridin-4-amine
CID 115113815
5-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
CID 117465476
6-(2,6-dimethoxyphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716908
3-(2-bromo-6-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole
CID 118371898
1-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 119024630
2-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyridin-4-amine
CID 175985378
2-(4-methoxy-1H-indol-3-yl)pyridin-4-amine
CID 115114211
5-[2-methoxy-6-(methoxymethyl)phenyl]-1,2-oxazol-3-amine
CID 117340239

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridin-4-amine?
The IUPAC name of 2-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridin-4-amine (CID 68792608) is 2-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridin-4-amine.
What is the SMILES notation for 2-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridin-4-amine?
The canonical SMILES for 2-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridin-4-amine is COc1cccc(C(F)(F)F)c1-c1cc(-c2cc(N)ccn2)on1.
What is the InChIKey of 2-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridin-4-amine?
The InChIKey is RKCHYLCQOSECRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c1-23-13-4-2-3-10(16(17,18)19)15(13)12-8-14(24-22-12)11-7-9(20)5-6-21-11/h2-8H,1H3,(H2,20,21).
What are the key properties of 2-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridin-4-amine?
2-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridin-4-amine has a molecular weight of 335.29 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridin-4-amine is sourced from PubChem (CID 68792608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).