3-ethyl-4-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine

C12H13FN2O2 — CID 82083559

IUPAC3-ethyl-4-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCCc1noc(N)c1-c1cc(F)ccc1OC
InChIInChI=1S/C12H13FN2O2/c1-3-9-11(12(14)17-15-9)8-6-7(13)4-5-10(8)16-2/h4-6H,3,14H2,1-2H3
InChIKeyIABINTACMZMNGG-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.63
Rot. Bonds3

About 3-ethyl-4-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine

3-ethyl-4-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 82083559) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 3-ethyl-4-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-ethyl-4-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
PubChem CID82083559
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name3-ethyl-4-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCCc1noc(N)c1-c1cc(F)ccc1OC
InChIInChI=1S/C12H13FN2O2/c1-3-9-11(12(14)17-15-9)8-6-7(13)4-5-10(8)16-2/h4-6H,3,14H2,1-2H3
InChIKeyIABINTACMZMNGG-UHFFFAOYSA-N
XLogP2.63
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxy-5-methylphenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine
CID 43335915
4-(5-chloro-2-methoxyphenyl)-3-pentyl-1,2-oxazol-5-amine
CID 43336106
5-ethyl-4-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 82083321
4-(2-methoxyphenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine
CID 43158239
[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]methanamine
CID 82472973
4-(2-chloro-4-fluorophenyl)-3-(2-methoxyethyl)-1,2-oxazol-5-amine
CID 63038642
4-(2,5-dimethylphenyl)-3-ethyl-1,2-oxazol-5-amine
CID 82078789
2-ethyl-6-(5-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine
CID 80977034
5-(5-fluoro-2-methoxyphenyl)-3-methyl-1,2-oxazole
CID 116868898
2-ethyl-4-(5-fluoro-2-methoxyphenyl)aniline
CID 81289951
3-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-1,2-oxazol-5-amine
CID 43158243
4-(5-fluoro-2-methoxyphenyl)imidazole-1,2-diamine
CID 82286848

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-ethyl-4-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine (CID 82083559) is 3-ethyl-4-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-ethyl-4-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-ethyl-4-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine is CCc1noc(N)c1-c1cc(F)ccc1OC.
What is the InChIKey of 3-ethyl-4-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is IABINTACMZMNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-3-9-11(12(14)17-15-9)8-6-7(13)4-5-10(8)16-2/h4-6H,3,14H2,1-2H3.
What are the key properties of 3-ethyl-4-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine?
3-ethyl-4-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 236.25 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 82083559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).