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

C16H12F2N2O — CID 66198096

IUPAC5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccccc1-c1c(N)noc1-c1cccc(F)c1F
InChIInChI=1S/C16H12F2N2O/c1-9-5-2-3-6-10(9)13-15(21-20-16(13)19)11-7-4-8-12(17)14(11)18/h2-8H,1H3,(H2,19,20)
InChIKeyIEUAEDHRMYFKRX-UHFFFAOYSA-N
MW286.28 g/mol
LogP4.18
Rot. Bonds2

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

5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 66198096) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
PubChem CID66198096
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC Name5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccccc1-c1c(N)noc1-c1cccc(F)c1F
InChIInChI=1S/C16H12F2N2O/c1-9-5-2-3-6-10(9)13-15(21-20-16(13)19)11-7-4-8-12(17)14(11)18/h2-8H,1H3,(H2,19,20)
InChIKeyIEUAEDHRMYFKRX-UHFFFAOYSA-N
XLogP4.18
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine (CID 66198096) is 5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine is Cc1ccccc1-c1c(N)noc1-c1cccc(F)c1F.
What is the InChIKey of 5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is IEUAEDHRMYFKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c1-9-5-2-3-6-10(9)13-15(21-20-16(13)19)11-7-4-8-12(17)14(11)18/h2-8H,1H3,(H2,19,20).
What are the key properties of 5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine?
5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 286.28 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).