3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole

C14H17N3O — CID 29039427

IUPAC3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc([C@@H]3CCCNC3)n2)cc1
InChIInChI=1S/C14H17N3O/c1-10-4-6-11(7-5-10)13-16-14(18-17-13)12-3-2-8-15-9-12/h4-7,12,15H,2-3,8-9H2,1H3/t12-/m1/s1
InChIKeyKWRMFHDTSZXDFP-GFCCVEGCSA-N
MW243.31 g/mol
LogP2.51
Rot. Bonds2

About 3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole

3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 29039427) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID29039427
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc([C@@H]3CCCNC3)n2)cc1
InChIInChI=1S/C14H17N3O/c1-10-4-6-11(7-5-10)13-16-14(18-17-13)12-3-2-8-15-9-12/h4-7,12,15H,2-3,8-9H2,1H3/t12-/m1/s1
InChIKeyKWRMFHDTSZXDFP-GFCCVEGCSA-N
XLogP2.51
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethylphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43627411
5-piperidin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride
CID 66618635
3-(4-fluoro-3-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 93350958
3-(3,4-dimethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43625533
3-(4-methoxyphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120838044
3-(2-methylpyrimidin-4-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 113329250
3-(4-methyl-3-pyridinyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104982341
3-(3-chlorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 69411242
3-(3-methoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 119948489
3-(4-methylsulfonylphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120841276
3-(furan-2-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 68927912
3-(5-chlorofuran-2-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 115080752

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole (CID 29039427) is 3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole is Cc1ccc(-c2noc([C@@H]3CCCNC3)n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is KWRMFHDTSZXDFP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-4-6-11(7-5-10)13-16-14(18-17-13)12-3-2-8-15-9-12/h4-7,12,15H,2-3,8-9H2,1H3/t12-/m1/s1.
What are the key properties of 3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 243.31 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 29039427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).