(5-methyl-1,2-oxazol-3-yl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone

C17H19N7O2 — CID 30857768

IUPAC(5-methyl-1,2-oxazol-3-yl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)no1
InChIInChI=1S/C17H19N7O2/c1-13-11-15(19-26-13)17(25)23-9-7-22(8-10-23)12-16-18-20-21-24(16)14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3
InChIKeyTXUMMWFRCDMETM-UHFFFAOYSA-N
MW353.39 g/mol
LogP0.92
Rot. Bonds4

About (5-methyl-1,2-oxazol-3-yl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone

(5-methyl-1,2-oxazol-3-yl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone (PubChem CID 30857768) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone
PubChem CID30857768
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC Name(5-methyl-1,2-oxazol-3-yl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)no1
InChIInChI=1S/C17H19N7O2/c1-13-11-15(19-26-13)17(25)23-9-7-22(8-10-23)12-16-18-20-21-24(16)14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3
InChIKeyTXUMMWFRCDMETM-UHFFFAOYSA-N
XLogP0.92
TPSA93.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (5-methyl-1,2-oxazol-3-yl)-[4-[(1-phenyltetrazol-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

Related Compounds

N,N-dimethyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide
CID 37206138
(3-methylphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 37085029
(4-ethoxyphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone
CID 30936153
2-ethyl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]butan-1-one
CID 30936083
ethyl 4-oxo-4-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]butanoate
CID 30936106
[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 30857653
(4-morpholin-4-ylsulfonylphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone
CID 30936355
(4-chlorophenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 47536185
(3,4-dimethylphenyl)-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30937794
[4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 30938779
1-(azepan-1-yl)-2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 30738891
(4-methoxyphenyl)-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30937802

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone (CID 30857768) is (5-methyl-1,2-oxazol-3-yl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is TXUMMWFRCDMETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-13-11-15(19-26-13)17(25)23-9-7-22(8-10-23)12-16-18-20-21-24(16)14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone?
(5-methyl-1,2-oxazol-3-yl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 353.39 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 30857768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).