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

C12H13FN2O — CID 53017549

IUPAC2-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C12H13FN2O/c1-8(2)12-15-14-11(16-12)7-9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3
InChIKeyUZDXTPPGBHXAOA-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.92
Rot. Bonds3

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

2-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 53017549) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID53017549
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name2-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C12H13FN2O/c1-8(2)12-15-14-11(16-12)7-9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3
InChIKeyUZDXTPPGBHXAOA-UHFFFAOYSA-N
XLogP2.92
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole (CID 53017549) is 2-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(Cc2ccc(F)cc2)o1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is UZDXTPPGBHXAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-8(2)12-15-14-11(16-12)7-9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole?
2-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 220.25 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 53017549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).