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

C11H10F2N2O — CID 117321322

IUPAC4-(5-ethyl-2,3-difluorophenyl)-1,2-oxazol-5-amine
SMILESCCc1cc(F)c(F)c(-c2cnoc2N)c1
InChIInChI=1S/C11H10F2N2O/c1-2-6-3-7(10(13)9(12)4-6)8-5-15-16-11(8)14/h3-5H,2,14H2,1H3
InChIKeySKOYYYUVRGFGJD-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.76
Rot. Bonds2

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

4-(5-ethyl-2,3-difluorophenyl)-1,2-oxazol-5-amine (PubChem CID 117321322) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 4-(5-ethyl-2,3-difluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(5-ethyl-2,3-difluorophenyl)-1,2-oxazol-5-amine
PubChem CID117321322
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name4-(5-ethyl-2,3-difluorophenyl)-1,2-oxazol-5-amine
SMILESCCc1cc(F)c(F)c(-c2cnoc2N)c1
InChIInChI=1S/C11H10F2N2O/c1-2-6-3-7(10(13)9(12)4-6)8-5-15-16-11(8)14/h3-5H,2,14H2,1H3
InChIKeySKOYYYUVRGFGJD-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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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2,3-difluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(5-ethyl-2,3-difluorophenyl)-1,2-oxazol-5-amine (CID 117321322) is 4-(5-ethyl-2,3-difluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(5-ethyl-2,3-difluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(5-ethyl-2,3-difluorophenyl)-1,2-oxazol-5-amine is CCc1cc(F)c(F)c(-c2cnoc2N)c1.
What is the InChIKey of 4-(5-ethyl-2,3-difluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is SKOYYYUVRGFGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c1-2-6-3-7(10(13)9(12)4-6)8-5-15-16-11(8)14/h3-5H,2,14H2,1H3.
What are the key properties of 4-(5-ethyl-2,3-difluorophenyl)-1,2-oxazol-5-amine?
4-(5-ethyl-2,3-difluorophenyl)-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 4-(5-ethyl-2,3-difluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117321322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).