4-[4-(oxolane-2-carbonyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one

C18H21N7O3 — CID 53383692

IUPAC4-[4-(oxolane-2-carbonyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one
SMILESO=C1Nc2ccccc2-n2nnnc2C1N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C18H21N7O3/c26-17-15(16-20-21-22-25(16)13-5-2-1-4-12(13)19-17)23-7-9-24(10-8-23)18(27)14-6-3-11-28-14/h1-2,4-5,14-15H,3,6-11H2,(H,19,26)
InChIKeyKGFYHVZTVJBOJC-UHFFFAOYSA-N
MW383.41 g/mol
LogP-0.02
Rot. Bonds2

About 4-[4-(oxolane-2-carbonyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one

4-[4-(oxolane-2-carbonyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one (PubChem CID 53383692) has the molecular formula C18H21N7O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 4-[4-(oxolane-2-carbonyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one.

Molecular Properties

Compound Name4-[4-(oxolane-2-carbonyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one
PubChem CID53383692
Molecular FormulaC18H21N7O3
Molecular Weight383.41 g/mol
Exact Mass383.17
IUPAC Name4-[4-(oxolane-2-carbonyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one
SMILESO=C1Nc2ccccc2-n2nnnc2C1N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C18H21N7O3/c26-17-15(16-20-21-22-25(16)13-5-2-1-4-12(13)19-17)23-7-9-24(10-8-23)18(27)14-6-3-11-28-14/h1-2,4-5,14-15H,3,6-11H2,(H,19,26)
InChIKeyKGFYHVZTVJBOJC-UHFFFAOYSA-N
XLogP-0.02
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[4-(oxolane-2-carbonyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one 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 4-[4-(oxolane-2-carbonyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one?
The IUPAC name of 4-[4-(oxolane-2-carbonyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one (CID 53383692) is 4-[4-(oxolane-2-carbonyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one.
What is the SMILES notation for 4-[4-(oxolane-2-carbonyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one?
The canonical SMILES for 4-[4-(oxolane-2-carbonyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one is O=C1Nc2ccccc2-n2nnnc2C1N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of 4-[4-(oxolane-2-carbonyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one?
The InChIKey is KGFYHVZTVJBOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O3/c26-17-15(16-20-21-22-25(16)13-5-2-1-4-12(13)19-17)23-7-9-24(10-8-23)18(27)14-6-3-11-28-14/h1-2,4-5,14-15H,3,6-11H2,(H,19,26).
What are the key properties of 4-[4-(oxolane-2-carbonyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one?
4-[4-(oxolane-2-carbonyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one has a molecular weight of 383.41 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(oxolane-2-carbonyl)piperazin-1-yl]-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one is sourced from PubChem (CID 53383692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).