2-methyl-5-[(2S,3S)-2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-yl]-1,3,4-oxadiazole

C15H23N5O — CID 154761878

IUPAC2-methyl-5-[(2S,3S)-2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-yl]-1,3,4-oxadiazole
SMILESCc1nnc([C@H]2CCCN(CCn3ccnc3C)[C@H]2C)o1
InChIInChI=1S/C15H23N5O/c1-11-14(15-18-17-13(3)21-15)5-4-7-19(11)9-10-20-8-6-16-12(20)2/h6,8,11,14H,4-5,7,9-10H2,1-3H3/t11-,14-/m0/s1
InChIKeyNSVVXWWYDNYJFX-FZMZJTMJSA-N
MW289.38 g/mol
LogP2.15
Rot. Bonds4

About 2-methyl-5-[(2S,3S)-2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-yl]-1,3,4-oxadiazole

2-methyl-5-[(2S,3S)-2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-yl]-1,3,4-oxadiazole (PubChem CID 154761878) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-methyl-5-[(2S,3S)-2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(2S,3S)-2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-yl]-1,3,4-oxadiazole
PubChem CID154761878
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-methyl-5-[(2S,3S)-2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-yl]-1,3,4-oxadiazole
SMILESCc1nnc([C@H]2CCCN(CCn3ccnc3C)[C@H]2C)o1
InChIInChI=1S/C15H23N5O/c1-11-14(15-18-17-13(3)21-15)5-4-7-19(11)9-10-20-8-6-16-12(20)2/h6,8,11,14H,4-5,7,9-10H2,1-3H3/t11-,14-/m0/s1
InChIKeyNSVVXWWYDNYJFX-FZMZJTMJSA-N
XLogP2.15
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-[(2S,3S)-2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-yl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2S,3S)-2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(2S,3S)-2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-yl]-1,3,4-oxadiazole (CID 154761878) is 2-methyl-5-[(2S,3S)-2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(2S,3S)-2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(2S,3S)-2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-yl]-1,3,4-oxadiazole is Cc1nnc([C@H]2CCCN(CCn3ccnc3C)[C@H]2C)o1.
What is the InChIKey of 2-methyl-5-[(2S,3S)-2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is NSVVXWWYDNYJFX-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H23N5O/c1-11-14(15-18-17-13(3)21-15)5-4-7-19(11)9-10-20-8-6-16-12(20)2/h6,8,11,14H,4-5,7,9-10H2,1-3H3/t11-,14-/m0/s1.
What are the key properties of 2-methyl-5-[(2S,3S)-2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-yl]-1,3,4-oxadiazole?
2-methyl-5-[(2S,3S)-2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 289.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2S,3S)-2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 154761878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).