2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone

C17H24N4O2 — CID 70730701

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCCC(Cn2ccnc2C)C1
InChIInChI=1S/C17H24N4O2/c1-12-16(13(2)23-19-12)9-17(22)21-7-4-5-15(11-21)10-20-8-6-18-14(20)3/h6,8,15H,4-5,7,9-11H2,1-3H3
InChIKeyNDGRAJGENXOXBI-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.28
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 70730701) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
PubChem CID70730701
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCCC(Cn2ccnc2C)C1
InChIInChI=1S/C17H24N4O2/c1-12-16(13(2)23-19-12)9-17(22)21-7-4-5-15(11-21)10-20-8-6-18-14(20)3/h6,8,15H,4-5,7,9-11H2,1-3H3
InChIKeyNDGRAJGENXOXBI-UHFFFAOYSA-N
XLogP2.28
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone 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-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone (CID 70730701) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone is Cc1noc(C)c1CC(=O)N1CCCC(Cn2ccnc2C)C1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is NDGRAJGENXOXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-16(13(2)23-19-12)9-17(22)21-7-4-5-15(11-21)10-20-8-6-18-14(20)3/h6,8,15H,4-5,7,9-11H2,1-3H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 316.41 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 70730701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).