ethane;3-(2-fluoro-6-methylphenyl)-5-methyl-1,2,4-oxadiazole

C14H21FN2O — CID 144872021

IUPACethane;3-(2-fluoro-6-methylphenyl)-5-methyl-1,2,4-oxadiazole
SMILESCC.CC.Cc1nc(-c2c(C)cccc2F)no1
InChIInChI=1S/C10H9FN2O.2C2H6/c1-6-4-3-5-8(11)9(6)10-12-7(2)14-13-10;2*1-2/h3-5H,1-2H3;2*1-2H3
InChIKeyHJUXGHRBODDPHL-UHFFFAOYSA-N
MW252.33 g/mol
LogP4.54
Rot. Bonds1

About ethane;3-(2-fluoro-6-methylphenyl)-5-methyl-1,2,4-oxadiazole

ethane;3-(2-fluoro-6-methylphenyl)-5-methyl-1,2,4-oxadiazole (PubChem CID 144872021) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is ethane;3-(2-fluoro-6-methylphenyl)-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Nameethane;3-(2-fluoro-6-methylphenyl)-5-methyl-1,2,4-oxadiazole
PubChem CID144872021
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Nameethane;3-(2-fluoro-6-methylphenyl)-5-methyl-1,2,4-oxadiazole
SMILESCC.CC.Cc1nc(-c2c(C)cccc2F)no1
InChIInChI=1S/C10H9FN2O.2C2H6/c1-6-4-3-5-8(11)9(6)10-12-7(2)14-13-10;2*1-2/h3-5H,1-2H3;2*1-2H3
InChIKeyHJUXGHRBODDPHL-UHFFFAOYSA-N
XLogP4.54
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-bis(2-fluoro-6-methylphenyl)-1,2,4,5-tetrazine
CID 129205135
1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one
CID 122632912
3-fluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43443181
5-[5-(2-fluoro-6-methylphenyl)-1,2,4-oxadiazol-3-yl]-2,4-dimethylbenzoic acid
CID 158213305
4-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 97057819
2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethanamine
CID 170868647
3-(4-chloro-3-fluorophenyl)-5-methyl-1,2,4-oxadiazole
CID 170771267
4-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
CID 686448
3-(4-bromo-2-fluorophenyl)-5-methyl-1,2,4-oxadiazole
CID 58762310
3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole
CID 67475214
5-(chloromethyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 97057636
3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole
CID 684002

Frequently Asked Questions

What is the IUPAC name of ethane;3-(2-fluoro-6-methylphenyl)-5-methyl-1,2,4-oxadiazole?
The IUPAC name of ethane;3-(2-fluoro-6-methylphenyl)-5-methyl-1,2,4-oxadiazole (CID 144872021) is ethane;3-(2-fluoro-6-methylphenyl)-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for ethane;3-(2-fluoro-6-methylphenyl)-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for ethane;3-(2-fluoro-6-methylphenyl)-5-methyl-1,2,4-oxadiazole is CC.CC.Cc1nc(-c2c(C)cccc2F)no1.
What is the InChIKey of ethane;3-(2-fluoro-6-methylphenyl)-5-methyl-1,2,4-oxadiazole?
The InChIKey is HJUXGHRBODDPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O.2C2H6/c1-6-4-3-5-8(11)9(6)10-12-7(2)14-13-10;2*1-2/h3-5H,1-2H3;2*1-2H3.
What are the key properties of ethane;3-(2-fluoro-6-methylphenyl)-5-methyl-1,2,4-oxadiazole?
ethane;3-(2-fluoro-6-methylphenyl)-5-methyl-1,2,4-oxadiazole has a molecular weight of 252.33 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2-fluoro-6-methylphenyl)-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 144872021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).