[5-(2-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone

C21H18N4O2 — CID 146220569

IUPAC[5-(2-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone
SMILESCn1cc2ccc(-c3cc(C(=O)N4CC(c5ccccc5)C4)no3)cc2n1
InChIInChI=1S/C21H18N4O2/c1-24-11-16-8-7-15(9-18(16)22-24)20-10-19(23-27-20)21(26)25-12-17(13-25)14-5-3-2-4-6-14/h2-11,17H,12-13H2,1H3
InChIKeyIHRLZKIXKNZFFW-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.47
Rot. Bonds3

About [5-(2-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone

[5-(2-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone (PubChem CID 146220569) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is [5-(2-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone
PubChem CID146220569
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name[5-(2-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone
SMILESCn1cc2ccc(-c3cc(C(=O)N4CC(c5ccccc5)C4)no3)cc2n1
InChIInChI=1S/C21H18N4O2/c1-24-11-16-8-7-15(9-18(16)22-24)20-10-19(23-27-20)21(26)25-12-17(13-25)14-5-3-2-4-6-14/h2-11,17H,12-13H2,1H3
InChIKeyIHRLZKIXKNZFFW-UHFFFAOYSA-N
XLogP3.47
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-(2-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-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 [5-(2-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone?
The IUPAC name of [5-(2-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone (CID 146220569) is [5-(2-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone.
What is the SMILES notation for [5-(2-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone?
The canonical SMILES for [5-(2-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone is Cn1cc2ccc(-c3cc(C(=O)N4CC(c5ccccc5)C4)no3)cc2n1.
What is the InChIKey of [5-(2-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone?
The InChIKey is IHRLZKIXKNZFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-24-11-16-8-7-15(9-18(16)22-24)20-10-19(23-27-20)21(26)25-12-17(13-25)14-5-3-2-4-6-14/h2-11,17H,12-13H2,1H3.
What are the key properties of [5-(2-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone?
[5-(2-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone has a molecular weight of 358.40 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone is sourced from PubChem (CID 146220569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).