(4-methyl-1,3-oxazol-5-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone

C12H16N6O2 — CID 110196516

IUPAC(4-methyl-1,3-oxazol-5-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1ncoc1C(=O)N1CCCC(c2nnnn2C)C1
InChIInChI=1S/C12H16N6O2/c1-8-10(20-7-13-8)12(19)18-5-3-4-9(6-18)11-14-15-16-17(11)2/h7,9H,3-6H2,1-2H3
InChIKeySHYVWVDXCFDNLA-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.53
Rot. Bonds2

About (4-methyl-1,3-oxazol-5-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone

(4-methyl-1,3-oxazol-5-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 110196516) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is (4-methyl-1,3-oxazol-5-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,3-oxazol-5-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
PubChem CID110196516
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name(4-methyl-1,3-oxazol-5-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1ncoc1C(=O)N1CCCC(c2nnnn2C)C1
InChIInChI=1S/C12H16N6O2/c1-8-10(20-7-13-8)12(19)18-5-3-4-9(6-18)11-14-15-16-17(11)2/h7,9H,3-6H2,1-2H3
InChIKeySHYVWVDXCFDNLA-UHFFFAOYSA-N
XLogP0.53
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-oxazol-5-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-methyl-1,3-oxazol-5-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone (CID 110196516) is (4-methyl-1,3-oxazol-5-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-1,3-oxazol-5-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methyl-1,3-oxazol-5-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone is Cc1ncoc1C(=O)N1CCCC(c2nnnn2C)C1.
What is the InChIKey of (4-methyl-1,3-oxazol-5-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is SHYVWVDXCFDNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-8-10(20-7-13-8)12(19)18-5-3-4-9(6-18)11-14-15-16-17(11)2/h7,9H,3-6H2,1-2H3.
What are the key properties of (4-methyl-1,3-oxazol-5-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone?
(4-methyl-1,3-oxazol-5-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 276.30 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-oxazol-5-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110196516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).