1-morpholin-4-yl-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone

C17H22N6O3 — CID 1136667

IUPAC1-morpholin-4-yl-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone
SMILESO=C(Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1)N1CCOCC1
InChIInChI=1S/C17H22N6O3/c24-16(22-7-11-26-12-8-22)13-23-19-17(18-20-23)14-1-3-15(4-2-14)21-5-9-25-10-6-21/h1-4H,5-13H2
InChIKeyQOGQAPSCNAQUDX-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.04
Rot. Bonds4

About 1-morpholin-4-yl-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone

1-morpholin-4-yl-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone (PubChem CID 1136667) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone
PubChem CID1136667
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name1-morpholin-4-yl-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone
SMILESO=C(Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1)N1CCOCC1
InChIInChI=1S/C17H22N6O3/c24-16(22-7-11-26-12-8-22)13-23-19-17(18-20-23)14-1-3-15(4-2-14)21-5-9-25-10-6-21/h1-4H,5-13H2
InChIKeyQOGQAPSCNAQUDX-UHFFFAOYSA-N
XLogP0.04
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-morpholin-4-yl-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-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 1-morpholin-4-yl-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone (CID 1136667) is 1-morpholin-4-yl-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone is O=C(Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone?
The InChIKey is QOGQAPSCNAQUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c24-16(22-7-11-26-12-8-22)13-23-19-17(18-20-23)14-1-3-15(4-2-14)21-5-9-25-10-6-21/h1-4H,5-13H2.
What are the key properties of 1-morpholin-4-yl-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone?
1-morpholin-4-yl-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone has a molecular weight of 358.40 g/mol, XLogP of 0.04, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone is sourced from PubChem (CID 1136667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).