5-[(1S)-1-(2,3-difluorophenoxy)ethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole

C17H14F2N2O2 — CID 95904228

IUPAC5-[(1S)-1-(2,3-difluorophenoxy)ethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1noc([C@H](C)Oc2cccc(F)c2F)n1
InChIInChI=1S/C17H14F2N2O2/c1-10-6-3-4-7-12(10)16-20-17(23-21-16)11(2)22-14-9-5-8-13(18)15(14)19/h3-9,11H,1-2H3/t11-/m0/s1
InChIKeyHUPSQLOTJDUHSB-NSHDSACASA-N
MW316.31 g/mol
LogP4.46
Rot. Bonds4

About 5-[(1S)-1-(2,3-difluorophenoxy)ethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole

5-[(1S)-1-(2,3-difluorophenoxy)ethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole (PubChem CID 95904228) has the molecular formula C17H14F2N2O2 and a molecular weight of 316.31 g/mol. Its IUPAC name is 5-[(1S)-1-(2,3-difluorophenoxy)ethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1S)-1-(2,3-difluorophenoxy)ethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
PubChem CID95904228
Molecular FormulaC17H14F2N2O2
Molecular Weight316.31 g/mol
Exact Mass316.10
IUPAC Name5-[(1S)-1-(2,3-difluorophenoxy)ethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1noc([C@H](C)Oc2cccc(F)c2F)n1
InChIInChI=1S/C17H14F2N2O2/c1-10-6-3-4-7-12(10)16-20-17(23-21-16)11(2)22-14-9-5-8-13(18)15(14)19/h3-9,11H,1-2H3/t11-/m0/s1
InChIKeyHUPSQLOTJDUHSB-NSHDSACASA-N
XLogP4.46
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(1S)-1-(2,3-difluorophenoxy)ethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole with MolForge

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

Launch Full Analysis

Related Compounds

5-(diethoxymethyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 63773018
3-fluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43443181
1-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 82624860
(1S)-2,2-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 93057373
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63347498
1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 56810229
ethyl 3-methyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 79481020
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63346270
1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl 2-(difluoromethoxy)benzoate
CID 46544369
1-[5-[1-(2-fluorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853344
5-[(1S)-1-(2-methoxyethylsulfonyl)ethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 95904217
5-[1-(2,4-dichlorophenoxy)ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 71212790

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-(2,3-difluorophenoxy)ethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(1S)-1-(2,3-difluorophenoxy)ethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole (CID 95904228) is 5-[(1S)-1-(2,3-difluorophenoxy)ethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1S)-1-(2,3-difluorophenoxy)ethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1S)-1-(2,3-difluorophenoxy)ethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole is Cc1ccccc1-c1noc([C@H](C)Oc2cccc(F)c2F)n1.
What is the InChIKey of 5-[(1S)-1-(2,3-difluorophenoxy)ethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is HUPSQLOTJDUHSB-NSHDSACASA-N. The full InChI is InChI=1S/C17H14F2N2O2/c1-10-6-3-4-7-12(10)16-20-17(23-21-16)11(2)22-14-9-5-8-13(18)15(14)19/h3-9,11H,1-2H3/t11-/m0/s1.
What are the key properties of 5-[(1S)-1-(2,3-difluorophenoxy)ethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
5-[(1S)-1-(2,3-difluorophenoxy)ethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 316.31 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-(2,3-difluorophenoxy)ethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 95904228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).