furan-2-yl-[4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone

C23H28N6O3 — CID 648836

IUPACfuran-2-yl-[4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCc1ccc(C(c2nnnn2CC2CCCO2)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C23H28N6O3/c1-17-6-8-18(9-7-17)21(22-24-25-26-29(22)16-19-4-2-14-31-19)27-10-12-28(13-11-27)23(30)20-5-3-15-32-20/h3,5-9,15,19,21H,2,4,10-14,16H2,1H3
InChIKeyUXSQYLZPGDXOHH-UHFFFAOYSA-N
MW436.52 g/mol
LogP2.30
Rot. Bonds6

About furan-2-yl-[4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone

furan-2-yl-[4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone (PubChem CID 648836) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is furan-2-yl-[4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
PubChem CID648836
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Namefuran-2-yl-[4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCc1ccc(C(c2nnnn2CC2CCCO2)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C23H28N6O3/c1-17-6-8-18(9-7-17)21(22-24-25-26-29(22)16-19-4-2-14-31-19)27-10-12-28(13-11-27)23(30)20-5-3-15-32-20/h3,5-9,15,19,21H,2,4,10-14,16H2,1H3
InChIKeyUXSQYLZPGDXOHH-UHFFFAOYSA-N
XLogP2.30
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze furan-2-yl-[4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-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 furan-2-yl-[4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone (CID 648836) is furan-2-yl-[4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone is Cc1ccc(C(c2nnnn2CC2CCCO2)N2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of furan-2-yl-[4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is UXSQYLZPGDXOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-17-6-8-18(9-7-17)21(22-24-25-26-29(22)16-19-4-2-14-31-19)27-10-12-28(13-11-27)23(30)20-5-3-15-32-20/h3,5-9,15,19,21H,2,4,10-14,16H2,1H3.
What are the key properties of furan-2-yl-[4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 436.52 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 648836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).