3-(2,3,4-trifluorophenyl)-1,2-oxazole

C9H4F3NO — CID 154291335

IUPAC3-(2,3,4-trifluorophenyl)-1,2-oxazole
SMILESFc1ccc(-c2ccon2)c(F)c1F
InChIInChI=1S/C9H4F3NO/c10-6-2-1-5(8(11)9(6)12)7-3-4-14-13-7/h1-4H
InChIKeyMWXUCPNDSRQIKW-UHFFFAOYSA-N
MW199.13 g/mol
LogP2.76
Rot. Bonds1

About 3-(2,3,4-trifluorophenyl)-1,2-oxazole

3-(2,3,4-trifluorophenyl)-1,2-oxazole (PubChem CID 154291335) has the molecular formula C9H4F3NO and a molecular weight of 199.13 g/mol. Its IUPAC name is 3-(2,3,4-trifluorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2,3,4-trifluorophenyl)-1,2-oxazole
PubChem CID154291335
Molecular FormulaC9H4F3NO
Molecular Weight199.13 g/mol
Exact Mass199.02
IUPAC Name3-(2,3,4-trifluorophenyl)-1,2-oxazole
SMILESFc1ccc(-c2ccon2)c(F)c1F
InChIInChI=1S/C9H4F3NO/c10-6-2-1-5(8(11)9(6)12)7-3-4-14-13-7/h1-4H
InChIKeyMWXUCPNDSRQIKW-UHFFFAOYSA-N
XLogP2.76
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.13
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4-trifluorophenyl)-1,2-oxazole?
The IUPAC name of 3-(2,3,4-trifluorophenyl)-1,2-oxazole (CID 154291335) is 3-(2,3,4-trifluorophenyl)-1,2-oxazole.
What is the SMILES notation for 3-(2,3,4-trifluorophenyl)-1,2-oxazole?
The canonical SMILES for 3-(2,3,4-trifluorophenyl)-1,2-oxazole is Fc1ccc(-c2ccon2)c(F)c1F.
What is the InChIKey of 3-(2,3,4-trifluorophenyl)-1,2-oxazole?
The InChIKey is MWXUCPNDSRQIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3NO/c10-6-2-1-5(8(11)9(6)12)7-3-4-14-13-7/h1-4H.
What are the key properties of 3-(2,3,4-trifluorophenyl)-1,2-oxazole?
3-(2,3,4-trifluorophenyl)-1,2-oxazole has a molecular weight of 199.13 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4-trifluorophenyl)-1,2-oxazole is sourced from PubChem (CID 154291335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).