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

C16H17N7O2 — CID 43073604

IUPAC(3-methyl-1,2-oxazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)on1
InChIInChI=1S/C16H17N7O2/c1-12-11-14(25-18-12)15(24)21-7-9-22(10-8-21)16-17-19-20-23(16)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3
InChIKeyUIUNJLJUKMMEHN-UHFFFAOYSA-N
MW339.36 g/mol
LogP0.92
Rot. Bonds3

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

(3-methyl-1,2-oxazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone (PubChem CID 43073604) has the molecular formula C16H17N7O2 and a molecular weight of 339.36 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
PubChem CID43073604
Molecular FormulaC16H17N7O2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC Name(3-methyl-1,2-oxazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)on1
InChIInChI=1S/C16H17N7O2/c1-12-11-14(25-18-12)15(24)21-7-9-22(10-8-21)16-17-19-20-23(16)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3
InChIKeyUIUNJLJUKMMEHN-UHFFFAOYSA-N
XLogP0.92
TPSA93.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 46412577
(2-bromophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 2243329
morpholin-4-yl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 17493615
(4-bromo-3,5-dimethoxyphenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 46600708
(2-hydroxy-4-propan-2-ylphenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 55851808
N-(4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide
CID 134790678
[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone
CID 46600637
(4-bromo-2-fluorophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 55636432
(3-methyl-1,2-oxazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 20868333
(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 43073602
1-[[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione
CID 55600868
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid
CID 119924398

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone (CID 43073604) is (3-methyl-1,2-oxazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is UIUNJLJUKMMEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2/c1-12-11-14(25-18-12)15(24)21-7-9-22(10-8-21)16-17-19-20-23(16)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
(3-methyl-1,2-oxazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 339.36 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 43073604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).