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

C14H17N3O — CID 6624997

IUPAC2-(3-methylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole
SMILESCc1cccc(-c2nnc(C3CCNCC3)o2)c1
InChIInChI=1S/C14H17N3O/c1-10-3-2-4-12(9-10)14-17-16-13(18-14)11-5-7-15-8-6-11/h2-4,9,11,15H,5-8H2,1H3
InChIKeyBQISWVVTAHGJQJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.51
Rot. Bonds2

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

2-(3-methylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole (PubChem CID 6624997) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(3-methylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-methylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole
PubChem CID6624997
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(3-methylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole
SMILESCc1cccc(-c2nnc(C3CCNCC3)o2)c1
InChIInChI=1S/C14H17N3O/c1-10-3-2-4-12(9-10)14-17-16-13(18-14)11-5-7-15-8-6-11/h2-4,9,11,15H,5-8H2,1H3
InChIKeyBQISWVVTAHGJQJ-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(3-methylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole (CID 6624997) is 2-(3-methylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-methylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-methylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole is Cc1cccc(-c2nnc(C3CCNCC3)o2)c1.
What is the InChIKey of 2-(3-methylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole?
The InChIKey is BQISWVVTAHGJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-3-2-4-12(9-10)14-17-16-13(18-14)11-5-7-15-8-6-11/h2-4,9,11,15H,5-8H2,1H3.
What are the key properties of 2-(3-methylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole?
2-(3-methylphenyl)-5-piperidin-4-yl-1,3,4-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 2-(3-methylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 6624997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).