[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone

C18H18N4O3 — CID 56686199

IUPAC[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESCc1noc(C2CCCN(C(=O)c3cc(-c4ccccc4)on3)C2)n1
InChIInChI=1S/C18H18N4O3/c1-12-19-17(25-20-12)14-8-5-9-22(11-14)18(23)15-10-16(24-21-15)13-6-3-2-4-7-13/h2-4,6-7,10,14H,5,8-9,11H2,1H3
InChIKeyHZZBLRIHUJAKKD-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.05
Rot. Bonds3

About [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone

[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone (PubChem CID 56686199) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
PubChem CID56686199
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESCc1noc(C2CCCN(C(=O)c3cc(-c4ccccc4)on3)C2)n1
InChIInChI=1S/C18H18N4O3/c1-12-19-17(25-20-12)14-8-5-9-22(11-14)18(23)15-10-16(24-21-15)13-6-3-2-4-7-13/h2-4,6-7,10,14H,5,8-9,11H2,1H3
InChIKeyHZZBLRIHUJAKKD-UHFFFAOYSA-N
XLogP3.05
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone 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 [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone (CID 56686199) is [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone is Cc1noc(C2CCCN(C(=O)c3cc(-c4ccccc4)on3)C2)n1.
What is the InChIKey of [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The InChIKey is HZZBLRIHUJAKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-12-19-17(25-20-12)14-8-5-9-22(11-14)18(23)15-10-16(24-21-15)13-6-3-2-4-7-13/h2-4,6-7,10,14H,5,8-9,11H2,1H3.
What are the key properties of [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone has a molecular weight of 338.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 56686199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).