4-(2,5-difluorophenyl)-3-propan-2-yl-2H-1,3-oxazole

C12H13F2NO — CID 91192911

IUPAC4-(2,5-difluorophenyl)-3-propan-2-yl-2H-1,3-oxazole
SMILESCC(C)N1COC=C1c1cc(F)ccc1F
InChIInChI=1S/C12H13F2NO/c1-8(2)15-7-16-6-12(15)10-5-9(13)3-4-11(10)14/h3-6,8H,7H2,1-2H3
InChIKeyJPJNFQUFOHRYKZ-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.96
Rot. Bonds2

About 4-(2,5-difluorophenyl)-3-propan-2-yl-2H-1,3-oxazole

4-(2,5-difluorophenyl)-3-propan-2-yl-2H-1,3-oxazole (PubChem CID 91192911) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-3-propan-2-yl-2H-1,3-oxazole.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-3-propan-2-yl-2H-1,3-oxazole
PubChem CID91192911
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name4-(2,5-difluorophenyl)-3-propan-2-yl-2H-1,3-oxazole
SMILESCC(C)N1COC=C1c1cc(F)ccc1F
InChIInChI=1S/C12H13F2NO/c1-8(2)15-7-16-6-12(15)10-5-9(13)3-4-11(10)14/h3-6,8H,7H2,1-2H3
InChIKeyJPJNFQUFOHRYKZ-UHFFFAOYSA-N
XLogP2.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-3-propan-2-yl-2H-1,3-oxazole?
The IUPAC name of 4-(2,5-difluorophenyl)-3-propan-2-yl-2H-1,3-oxazole (CID 91192911) is 4-(2,5-difluorophenyl)-3-propan-2-yl-2H-1,3-oxazole.
What is the SMILES notation for 4-(2,5-difluorophenyl)-3-propan-2-yl-2H-1,3-oxazole?
The canonical SMILES for 4-(2,5-difluorophenyl)-3-propan-2-yl-2H-1,3-oxazole is CC(C)N1COC=C1c1cc(F)ccc1F.
What is the InChIKey of 4-(2,5-difluorophenyl)-3-propan-2-yl-2H-1,3-oxazole?
The InChIKey is JPJNFQUFOHRYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c1-8(2)15-7-16-6-12(15)10-5-9(13)3-4-11(10)14/h3-6,8H,7H2,1-2H3.
What are the key properties of 4-(2,5-difluorophenyl)-3-propan-2-yl-2H-1,3-oxazole?
4-(2,5-difluorophenyl)-3-propan-2-yl-2H-1,3-oxazole has a molecular weight of 225.24 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-3-propan-2-yl-2H-1,3-oxazole is sourced from PubChem (CID 91192911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).