4-(3,4-difluorophenyl)-1,3-oxazole

C9H5F2NO — CID 58834806

IUPAC4-(3,4-difluorophenyl)-1,3-oxazole
SMILESFc1ccc(-c2cocn2)cc1F
InChIInChI=1S/C9H5F2NO/c10-7-2-1-6(3-8(7)11)9-4-13-5-12-9/h1-5H
InChIKeyOZTZVVHFRHVHSP-UHFFFAOYSA-N
MW181.14 g/mol
LogP2.62
Rot. Bonds1

About 4-(3,4-difluorophenyl)-1,3-oxazole

4-(3,4-difluorophenyl)-1,3-oxazole (PubChem CID 58834806) has the molecular formula C9H5F2NO and a molecular weight of 181.14 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-1,3-oxazole
PubChem CID58834806
Molecular FormulaC9H5F2NO
Molecular Weight181.14 g/mol
Exact Mass181.03
IUPAC Name4-(3,4-difluorophenyl)-1,3-oxazole
SMILESFc1ccc(-c2cocn2)cc1F
InChIInChI=1S/C9H5F2NO/c10-7-2-1-6(3-8(7)11)9-4-13-5-12-9/h1-5H
InChIKeyOZTZVVHFRHVHSP-UHFFFAOYSA-N
XLogP2.62
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.14
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-1,3-oxazole?
The IUPAC name of 4-(3,4-difluorophenyl)-1,3-oxazole (CID 58834806) is 4-(3,4-difluorophenyl)-1,3-oxazole.
What is the SMILES notation for 4-(3,4-difluorophenyl)-1,3-oxazole?
The canonical SMILES for 4-(3,4-difluorophenyl)-1,3-oxazole is Fc1ccc(-c2cocn2)cc1F.
What is the InChIKey of 4-(3,4-difluorophenyl)-1,3-oxazole?
The InChIKey is OZTZVVHFRHVHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2NO/c10-7-2-1-6(3-8(7)11)9-4-13-5-12-9/h1-5H.
What are the key properties of 4-(3,4-difluorophenyl)-1,3-oxazole?
4-(3,4-difluorophenyl)-1,3-oxazole has a molecular weight of 181.14 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-1,3-oxazole is sourced from PubChem (CID 58834806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).