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

C22H25N3O — CID 21307080

IUPAC2-methyl-5-[4-[1-methyl-4-(3-methylphenyl)piperidin-4-yl]phenyl]-1,3,4-oxadiazole
SMILESCc1cccc(C2(c3ccc(-c4nnc(C)o4)cc3)CCN(C)CC2)c1
InChIInChI=1S/C22H25N3O/c1-16-5-4-6-20(15-16)22(11-13-25(3)14-12-22)19-9-7-18(8-10-19)21-24-23-17(2)26-21/h4-10,15H,11-14H2,1-3H3
InChIKeyLEVMEOCMPHYVCN-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.37
Rot. Bonds3

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

2-methyl-5-[4-[1-methyl-4-(3-methylphenyl)piperidin-4-yl]phenyl]-1,3,4-oxadiazole (PubChem CID 21307080) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-methyl-5-[4-[1-methyl-4-(3-methylphenyl)piperidin-4-yl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[4-[1-methyl-4-(3-methylphenyl)piperidin-4-yl]phenyl]-1,3,4-oxadiazole
PubChem CID21307080
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name2-methyl-5-[4-[1-methyl-4-(3-methylphenyl)piperidin-4-yl]phenyl]-1,3,4-oxadiazole
SMILESCc1cccc(C2(c3ccc(-c4nnc(C)o4)cc3)CCN(C)CC2)c1
InChIInChI=1S/C22H25N3O/c1-16-5-4-6-20(15-16)22(11-13-25(3)14-12-22)19-9-7-18(8-10-19)21-24-23-17(2)26-21/h4-10,15H,11-14H2,1-3H3
InChIKeyLEVMEOCMPHYVCN-UHFFFAOYSA-N
XLogP4.37
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-[1-methyl-4-(3-methylphenyl)piperidin-4-yl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[4-[1-methyl-4-(3-methylphenyl)piperidin-4-yl]phenyl]-1,3,4-oxadiazole (CID 21307080) is 2-methyl-5-[4-[1-methyl-4-(3-methylphenyl)piperidin-4-yl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[4-[1-methyl-4-(3-methylphenyl)piperidin-4-yl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[4-[1-methyl-4-(3-methylphenyl)piperidin-4-yl]phenyl]-1,3,4-oxadiazole is Cc1cccc(C2(c3ccc(-c4nnc(C)o4)cc3)CCN(C)CC2)c1.
What is the InChIKey of 2-methyl-5-[4-[1-methyl-4-(3-methylphenyl)piperidin-4-yl]phenyl]-1,3,4-oxadiazole?
The InChIKey is LEVMEOCMPHYVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-5-4-6-20(15-16)22(11-13-25(3)14-12-22)19-9-7-18(8-10-19)21-24-23-17(2)26-21/h4-10,15H,11-14H2,1-3H3.
What are the key properties of 2-methyl-5-[4-[1-methyl-4-(3-methylphenyl)piperidin-4-yl]phenyl]-1,3,4-oxadiazole?
2-methyl-5-[4-[1-methyl-4-(3-methylphenyl)piperidin-4-yl]phenyl]-1,3,4-oxadiazole has a molecular weight of 347.46 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-[1-methyl-4-(3-methylphenyl)piperidin-4-yl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 21307080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).