3-(2,6-difluorophenyl)-4-ethyl-1,2-oxazol-5-amine

C11H10F2N2O — CID 43671006

IUPAC3-(2,6-difluorophenyl)-4-ethyl-1,2-oxazol-5-amine
SMILESCCc1c(-c2c(F)cccc2F)noc1N
InChIInChI=1S/C11H10F2N2O/c1-2-6-10(15-16-11(6)14)9-7(12)4-3-5-8(9)13/h3-5H,2,14H2,1H3
InChIKeyIGBNKONZBOYIBM-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.76
Rot. Bonds2

About 3-(2,6-difluorophenyl)-4-ethyl-1,2-oxazol-5-amine

3-(2,6-difluorophenyl)-4-ethyl-1,2-oxazol-5-amine (PubChem CID 43671006) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-4-ethyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-4-ethyl-1,2-oxazol-5-amine
PubChem CID43671006
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name3-(2,6-difluorophenyl)-4-ethyl-1,2-oxazol-5-amine
SMILESCCc1c(-c2c(F)cccc2F)noc1N
InChIInChI=1S/C11H10F2N2O/c1-2-6-10(15-16-11(6)14)9-7(12)4-3-5-8(9)13/h3-5H,2,14H2,1H3
InChIKeyIGBNKONZBOYIBM-UHFFFAOYSA-N
XLogP2.76
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-3-fluorophenyl)-4-ethyl-1,2-oxazol-5-amine
CID 81454075
3-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43335899
4-ethyl-3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-amine
CID 104639025
4-ethyl-3-pyrimidin-5-yl-1,2-oxazol-5-amine
CID 102922020
3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine
CID 67199596
4-ethyl-3-(2-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 62505793
4-ethyl-3-(3-ethyl-6-methylpyridazin-4-yl)-1,2-oxazol-5-amine
CID 113439304
4-(2-chloro-6-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43158014
4-(2-chloro-6-fluorophenyl)-3-pentan-3-yl-1,2-oxazol-5-amine
CID 43335678
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-1,2-oxazol-5-amine
CID 43670972
4-(bromomethyl)-5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole
CID 155223675
azane;2-ethyl-3-fluoroaniline
CID 68647628

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-4-ethyl-1,2-oxazol-5-amine?
The IUPAC name of 3-(2,6-difluorophenyl)-4-ethyl-1,2-oxazol-5-amine (CID 43671006) is 3-(2,6-difluorophenyl)-4-ethyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2,6-difluorophenyl)-4-ethyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2,6-difluorophenyl)-4-ethyl-1,2-oxazol-5-amine is CCc1c(-c2c(F)cccc2F)noc1N.
What is the InChIKey of 3-(2,6-difluorophenyl)-4-ethyl-1,2-oxazol-5-amine?
The InChIKey is IGBNKONZBOYIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c1-2-6-10(15-16-11(6)14)9-7(12)4-3-5-8(9)13/h3-5H,2,14H2,1H3.
What are the key properties of 3-(2,6-difluorophenyl)-4-ethyl-1,2-oxazol-5-amine?
3-(2,6-difluorophenyl)-4-ethyl-1,2-oxazol-5-amine has a molecular weight of 224.21 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-4-ethyl-1,2-oxazol-5-amine is sourced from PubChem (CID 43671006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).