2-[(2,4-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole

C12H12F2N2O — CID 90395023

IUPAC2-[(2,4-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(Cc2ccc(F)cc2F)o1
InChIInChI=1S/C12H12F2N2O/c1-7(2)12-16-15-11(17-12)5-8-3-4-9(13)6-10(8)14/h3-4,6-7H,5H2,1-2H3
InChIKeyHIJNBDCPVRIZLJ-UHFFFAOYSA-N
MW238.24 g/mol
LogP3.06
Rot. Bonds3

About 2-[(2,4-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole

2-[(2,4-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 90395023) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID90395023
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name2-[(2,4-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(Cc2ccc(F)cc2F)o1
InChIInChI=1S/C12H12F2N2O/c1-7(2)12-16-15-11(17-12)5-8-3-4-9(13)6-10(8)14/h3-4,6-7H,5H2,1-2H3
InChIKeyHIJNBDCPVRIZLJ-UHFFFAOYSA-N
XLogP3.06
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2,4-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole (CID 90395023) is 2-[(2,4-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2,4-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(Cc2ccc(F)cc2F)o1.
What is the InChIKey of 2-[(2,4-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is HIJNBDCPVRIZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-7(2)12-16-15-11(17-12)5-8-3-4-9(13)6-10(8)14/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 2-[(2,4-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole?
2-[(2,4-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 238.24 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 90395023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).