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

C13H12F2N2O2 — CID 71971359

IUPAC5-[(2,5-difluorophenyl)methyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESFc1ccc(F)c(Cc2nc(C3CCOC3)no2)c1
InChIInChI=1S/C13H12F2N2O2/c14-10-1-2-11(15)9(5-10)6-12-16-13(17-19-12)8-3-4-18-7-8/h1-2,5,8H,3-4,6-7H2
InChIKeyRALNBOONMKGSSD-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.44
Rot. Bonds3

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

5-[(2,5-difluorophenyl)methyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole (PubChem CID 71971359) has the molecular formula C13H12F2N2O2 and a molecular weight of 266.25 g/mol. Its IUPAC name is 5-[(2,5-difluorophenyl)methyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2,5-difluorophenyl)methyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
PubChem CID71971359
Molecular FormulaC13H12F2N2O2
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name5-[(2,5-difluorophenyl)methyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESFc1ccc(F)c(Cc2nc(C3CCOC3)no2)c1
InChIInChI=1S/C13H12F2N2O2/c14-10-1-2-11(15)9(5-10)6-12-16-13(17-19-12)8-3-4-18-7-8/h1-2,5,8H,3-4,6-7H2
InChIKeyRALNBOONMKGSSD-UHFFFAOYSA-N
XLogP2.44
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740545
3-[(3S)-oxolan-3-yl]-5-[(2-phenylmethoxyphenyl)methyl]-1,2,4-oxadiazole
CID 97443860
3-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 65329458
5-(5-fluoro-2-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72916243
3-(2-methoxyphenyl)-5-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propyl]-1,2,4-oxadiazole
CID 97443372
3-[(3S)-oxolan-3-yl]-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 97444905
3-(3-methylphenyl)-5-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazole
CID 72846499
3-(oxolan-3-yl)-5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 72891945
5-(4-fluoro-3-methoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72911954
5-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72911667
6-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 65330439
3-cyclopropyl-5-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazole
CID 154748359

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-difluorophenyl)methyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2,5-difluorophenyl)methyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole (CID 71971359) is 5-[(2,5-difluorophenyl)methyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2,5-difluorophenyl)methyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2,5-difluorophenyl)methyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole is Fc1ccc(F)c(Cc2nc(C3CCOC3)no2)c1.
What is the InChIKey of 5-[(2,5-difluorophenyl)methyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The InChIKey is RALNBOONMKGSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2/c14-10-1-2-11(15)9(5-10)6-12-16-13(17-19-12)8-3-4-18-7-8/h1-2,5,8H,3-4,6-7H2.
What are the key properties of 5-[(2,5-difluorophenyl)methyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
5-[(2,5-difluorophenyl)methyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole has a molecular weight of 266.25 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-difluorophenyl)methyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 71971359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).