[3-(2,4-difluorophenyl)-1,2,4-triazol-1-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone

C14H14F2N4O2 — CID 66681802

IUPAC[3-(2,4-difluorophenyl)-1,2,4-triazol-1-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone
SMILESCC1(C)COCN1C(=O)n1cnc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C14H14F2N4O2/c1-14(2)6-22-8-19(14)13(21)20-7-17-12(18-20)10-4-3-9(15)5-11(10)16/h3-5,7H,6,8H2,1-2H3
InChIKeyWPVHQERJXSWLJL-UHFFFAOYSA-N
MW308.29 g/mol
LogP2.26
Rot. Bonds1

About [3-(2,4-difluorophenyl)-1,2,4-triazol-1-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone

[3-(2,4-difluorophenyl)-1,2,4-triazol-1-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone (PubChem CID 66681802) has the molecular formula C14H14F2N4O2 and a molecular weight of 308.29 g/mol. Its IUPAC name is [3-(2,4-difluorophenyl)-1,2,4-triazol-1-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone.

Molecular Properties

Compound Name[3-(2,4-difluorophenyl)-1,2,4-triazol-1-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone
PubChem CID66681802
Molecular FormulaC14H14F2N4O2
Molecular Weight308.29 g/mol
Exact Mass308.11
IUPAC Name[3-(2,4-difluorophenyl)-1,2,4-triazol-1-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone
SMILESCC1(C)COCN1C(=O)n1cnc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C14H14F2N4O2/c1-14(2)6-22-8-19(14)13(21)20-7-17-12(18-20)10-4-3-9(15)5-11(10)16/h3-5,7H,6,8H2,1-2H3
InChIKeyWPVHQERJXSWLJL-UHFFFAOYSA-N
XLogP2.26
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(2,4-difluorophenyl)-1,2,4-triazol-1-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(2,4-difluorophenyl)-1,2,4-triazol-1-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone?
The IUPAC name of [3-(2,4-difluorophenyl)-1,2,4-triazol-1-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone (CID 66681802) is [3-(2,4-difluorophenyl)-1,2,4-triazol-1-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone.
What is the SMILES notation for [3-(2,4-difluorophenyl)-1,2,4-triazol-1-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone?
The canonical SMILES for [3-(2,4-difluorophenyl)-1,2,4-triazol-1-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone is CC1(C)COCN1C(=O)n1cnc(-c2ccc(F)cc2F)n1.
What is the InChIKey of [3-(2,4-difluorophenyl)-1,2,4-triazol-1-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone?
The InChIKey is WPVHQERJXSWLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O2/c1-14(2)6-22-8-19(14)13(21)20-7-17-12(18-20)10-4-3-9(15)5-11(10)16/h3-5,7H,6,8H2,1-2H3.
What are the key properties of [3-(2,4-difluorophenyl)-1,2,4-triazol-1-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone?
[3-(2,4-difluorophenyl)-1,2,4-triazol-1-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone has a molecular weight of 308.29 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-difluorophenyl)-1,2,4-triazol-1-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone is sourced from PubChem (CID 66681802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).