3-(3-chlorophenyl)-5-(4,4-difluoropyrrolidin-2-yl)-1,2,4-oxadiazole;hydrochloride

C12H11Cl2F2N3O — CID 120835832

IUPAC3-(3-chlorophenyl)-5-(4,4-difluoropyrrolidin-2-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCl.FC1(F)CNC(c2nc(-c3cccc(Cl)c3)no2)C1
InChIInChI=1S/C12H10ClF2N3O.ClH/c13-8-3-1-2-7(4-8)10-17-11(19-18-10)9-5-12(14,15)6-16-9;/h1-4,9,16H,5-6H2;1H
InChIKeyWYUPGTBLTPCRAK-UHFFFAOYSA-N
MW322.14 g/mol
LogP3.48
Rot. Bonds2

About 3-(3-chlorophenyl)-5-(4,4-difluoropyrrolidin-2-yl)-1,2,4-oxadiazole;hydrochloride

3-(3-chlorophenyl)-5-(4,4-difluoropyrrolidin-2-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 120835832) has the molecular formula C12H11Cl2F2N3O and a molecular weight of 322.14 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-(4,4-difluoropyrrolidin-2-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-(4,4-difluoropyrrolidin-2-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID120835832
Molecular FormulaC12H11Cl2F2N3O
Molecular Weight322.14 g/mol
Exact Mass321.02
IUPAC Name3-(3-chlorophenyl)-5-(4,4-difluoropyrrolidin-2-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCl.FC1(F)CNC(c2nc(-c3cccc(Cl)c3)no2)C1
InChIInChI=1S/C12H10ClF2N3O.ClH/c13-8-3-1-2-7(4-8)10-17-11(19-18-10)9-5-12(14,15)6-16-9;/h1-4,9,16H,5-6H2;1H
InChIKeyWYUPGTBLTPCRAK-UHFFFAOYSA-N
XLogP3.48
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.14
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-chlorophenyl)-5-(4,4-difluoropyrrolidin-2-yl)-1,2,4-oxadiazole;hydrochloride 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-(4,4-difluoropyrrolidin-2-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120836778
5-(4,4-difluoropyrrolidin-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
CID 120892327
5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107435991
5-(4,4-difluoropyrrolidin-2-yl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120841550
5-(4,4-difluoropyrrolidin-2-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 120835482
(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120835896
3-(3-chlorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 69411242
3-(3-chlorophenyl)-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,2,4-oxadiazole
CID 6946164
4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83201685
5-(azetidin-3-ylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 64612280
5-[(2S)-4,4-difluoropyrrolidin-2-yl]-3-ethyl-1,2,4-oxadiazole
CID 110203246
5-[1-(benzenesulfonyl)azetidin-3-yl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 121095496

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-(4,4-difluoropyrrolidin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(3-chlorophenyl)-5-(4,4-difluoropyrrolidin-2-yl)-1,2,4-oxadiazole;hydrochloride (CID 120835832) is 3-(3-chlorophenyl)-5-(4,4-difluoropyrrolidin-2-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(3-chlorophenyl)-5-(4,4-difluoropyrrolidin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(3-chlorophenyl)-5-(4,4-difluoropyrrolidin-2-yl)-1,2,4-oxadiazole;hydrochloride is Cl.FC1(F)CNC(c2nc(-c3cccc(Cl)c3)no2)C1.
What is the InChIKey of 3-(3-chlorophenyl)-5-(4,4-difluoropyrrolidin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is WYUPGTBLTPCRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2N3O.ClH/c13-8-3-1-2-7(4-8)10-17-11(19-18-10)9-5-12(14,15)6-16-9;/h1-4,9,16H,5-6H2;1H.
What are the key properties of 3-(3-chlorophenyl)-5-(4,4-difluoropyrrolidin-2-yl)-1,2,4-oxadiazole;hydrochloride?
3-(3-chlorophenyl)-5-(4,4-difluoropyrrolidin-2-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 322.14 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-(4,4-difluoropyrrolidin-2-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120835832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).