4-(4-ethoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-amine

C12H11F3N2O2 — CID 43336169

IUPAC4-(4-ethoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-amine
SMILESCCOc1ccc(-c2c(C(F)(F)F)noc2N)cc1
InChIInChI=1S/C12H11F3N2O2/c1-2-18-8-5-3-7(4-6-8)9-10(12(13,14)15)17-19-11(9)16/h3-6H,2,16H2,1H3
InChIKeyHFJPUGANMSENKX-UHFFFAOYSA-N
MW272.23 g/mol
LogP3.34
Rot. Bonds3

About 4-(4-ethoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-amine

4-(4-ethoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-amine (PubChem CID 43336169) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-amine
PubChem CID43336169
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name4-(4-ethoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-amine
SMILESCCOc1ccc(-c2c(C(F)(F)F)noc2N)cc1
InChIInChI=1S/C12H11F3N2O2/c1-2-18-8-5-3-7(4-6-8)9-10(12(13,14)15)17-19-11(9)16/h3-6H,2,16H2,1H3
InChIKeyHFJPUGANMSENKX-UHFFFAOYSA-N
XLogP3.34
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethoxyphenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine
CID 62677870
4-(4-ethoxyphenyl)-5-methyl-1,2-oxazol-3-amine
CID 66199638
5-tert-butyl-4-(4-ethoxyphenyl)-1,2-oxazol-3-amine
CID 66200446
4-(4-ethoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
CID 107972766
3-(3-chlorothiophen-2-yl)-4-(4-ethoxyphenyl)-1,2-oxazol-5-amine
CID 80645079
5-(4-ethoxyphenyl)-1,2-oxazol-3-amine
CID 27242742
4-(4-ethoxyphenyl)-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine
CID 66200647
4-[4-(2-methylpropoxy)phenyl]-5-(trifluoromethyl)-1,2-oxazol-3-amine
CID 66202068
4-(4-ethoxyphenyl)-1,3-oxazol-2-amine
CID 62065908
4-[4-(difluoromethoxy)phenyl]-3-methyl-1,2-oxazol-5-amine
CID 43158134
4-(4-ethoxyphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 66199843
3-(2-ethoxyethyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 43335930

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-ethoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-amine (CID 43336169) is 4-(4-ethoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-ethoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-ethoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-amine is CCOc1ccc(-c2c(C(F)(F)F)noc2N)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-amine?
The InChIKey is HFJPUGANMSENKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c1-2-18-8-5-3-7(4-6-8)9-10(12(13,14)15)17-19-11(9)16/h3-6H,2,16H2,1H3.
What are the key properties of 4-(4-ethoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-amine?
4-(4-ethoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-amine has a molecular weight of 272.23 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43336169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).