3-(difluoromethyl)-1,2-oxazole

C4H3F2NO — CID 121273798

IUPAC3-(difluoromethyl)-1,2-oxazole
SMILESFC(F)c1ccon1
InChIInChI=1S/C4H3F2NO/c5-4(6)3-1-2-8-7-3/h1-2,4H
InChIKeyDQQVDPZSGLYBAI-UHFFFAOYSA-N
MW119.07 g/mol
LogP1.61
Rot. Bonds1

About 3-(difluoromethyl)-1,2-oxazole

3-(difluoromethyl)-1,2-oxazole (PubChem CID 121273798) has the molecular formula C4H3F2NO and a molecular weight of 119.07 g/mol. Its IUPAC name is 3-(difluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(difluoromethyl)-1,2-oxazole
PubChem CID121273798
Molecular FormulaC4H3F2NO
Molecular Weight119.07 g/mol
Exact Mass119.02
IUPAC Name3-(difluoromethyl)-1,2-oxazole
SMILESFC(F)c1ccon1
InChIInChI=1S/C4H3F2NO/c5-4(6)3-1-2-8-7-3/h1-2,4H
InChIKeyDQQVDPZSGLYBAI-UHFFFAOYSA-N
XLogP1.61
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.07
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methylisoxazole
CID 96098
3-(Chloromethyl)-1,2-oxazole
CID 4913025
3-(Bromomethyl)-1,2-oxazole
CID 10464616
1,2-Oxazole-3-carbaldehyde
CID 18373078
5-(Tributylstannyl)-3-(trifluoromethyl)-1,2-oxazole
CID 53418317
3-(Trifluoromethyl)isoxazole
CID 13739401
Fluoromethylisoxazole
CID 20077094
3-Ethenyl-1,2-oxazole
CID 11018809
(1,2-Oxazol-3-yl)methanethiol
CID 15646083
1,2-Oxazole-3-carbonitrile
CID 22624610
3-Ethynyl-1,2-oxazole
CID 90771306
3-(1,2,2,2-Tetrafluoroethyl)-1,2-oxazole
CID 14341551

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1,2-oxazole?
The IUPAC name of 3-(difluoromethyl)-1,2-oxazole (CID 121273798) is 3-(difluoromethyl)-1,2-oxazole.
What is the SMILES notation for 3-(difluoromethyl)-1,2-oxazole?
The canonical SMILES for 3-(difluoromethyl)-1,2-oxazole is FC(F)c1ccon1.
What is the InChIKey of 3-(difluoromethyl)-1,2-oxazole?
The InChIKey is DQQVDPZSGLYBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F2NO/c5-4(6)3-1-2-8-7-3/h1-2,4H.
What are the key properties of 3-(difluoromethyl)-1,2-oxazole?
3-(difluoromethyl)-1,2-oxazole has a molecular weight of 119.07 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1,2-oxazole is sourced from PubChem (CID 121273798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).