3-(3,4-dichlorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole

C14H15Cl2N3O — CID 106743582

IUPAC3-(3,4-dichlorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCC1CC(c2nc(-c3ccc(Cl)c(Cl)c3)no2)CCN1
InChIInChI=1S/C14H15Cl2N3O/c1-8-6-10(4-5-17-8)14-18-13(19-20-14)9-2-3-11(15)12(16)7-9/h2-3,7-8,10,17H,4-6H2,1H3
InChIKeyNTHFUIMCXJZAEW-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.90
Rot. Bonds2

About 3-(3,4-dichlorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole

3-(3,4-dichlorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 106743582) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID106743582
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name3-(3,4-dichlorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCC1CC(c2nc(-c3ccc(Cl)c(Cl)c3)no2)CCN1
InChIInChI=1S/C14H15Cl2N3O/c1-8-6-10(4-5-17-8)14-18-13(19-20-14)9-2-3-11(15)12(16)7-9/h2-3,7-8,10,17H,4-6H2,1H3
InChIKeyNTHFUIMCXJZAEW-UHFFFAOYSA-N
XLogP3.90
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-fluorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743414
4-[5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888982
3-(3-bromo-4-methylphenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 107916321
3-(3-fluoro-4-methylphenyl)-5-[(2S,4S)-2-methylpiperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120837142
3-(3,5-difluorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743347
5-[(2S,4S)-2-methylpiperidin-4-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 120835592
3-(4-chloro-3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 95733033
5-(2-methylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 106743244
5-[(2S,4S)-2-methylpiperidin-4-yl]-3-[4-(phenoxymethyl)phenyl]-1,2,4-oxadiazole
CID 120839428
1-[4-[5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one
CID 167811634
3-[(2,6-dichlorophenyl)methyl]-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743359
3-(3-methylphenyl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780773

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3,4-dichlorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole (CID 106743582) is 3-(3,4-dichlorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,4-dichlorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole is CC1CC(c2nc(-c3ccc(Cl)c(Cl)c3)no2)CCN1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is NTHFUIMCXJZAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-8-6-10(4-5-17-8)14-18-13(19-20-14)9-2-3-11(15)12(16)7-9/h2-3,7-8,10,17H,4-6H2,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole?
3-(3,4-dichlorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 312.20 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 106743582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).