(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(tetrazol-1-yl)acetate

C7H8N6O3 — CID 24648281

IUPAC(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(tetrazol-1-yl)acetate
SMILESCc1noc(COC(=O)Cn2cnnn2)n1
InChIInChI=1S/C7H8N6O3/c1-5-9-6(16-10-5)3-15-7(14)2-13-4-8-11-12-13/h4H,2-3H2,1H3
InChIKeyVSLOTMNADNAHTQ-UHFFFAOYSA-N
MW224.18 g/mol
LogP-0.89
Rot. Bonds4

About (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(tetrazol-1-yl)acetate

(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(tetrazol-1-yl)acetate (PubChem CID 24648281) has the molecular formula C7H8N6O3 and a molecular weight of 224.18 g/mol. Its IUPAC name is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(tetrazol-1-yl)acetate.

Molecular Properties

Compound Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(tetrazol-1-yl)acetate
PubChem CID24648281
Molecular FormulaC7H8N6O3
Molecular Weight224.18 g/mol
Exact Mass224.07
IUPAC Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(tetrazol-1-yl)acetate
SMILESCc1noc(COC(=O)Cn2cnnn2)n1
InChIInChI=1S/C7H8N6O3/c1-5-9-6(16-10-5)3-15-7(14)2-13-4-8-11-12-13/h4H,2-3H2,1H3
InChIKeyVSLOTMNADNAHTQ-UHFFFAOYSA-N
XLogP-0.89
TPSA108.82 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 5-0.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(tetrazol-1-yl)acetate?
The IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(tetrazol-1-yl)acetate (CID 24648281) is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(tetrazol-1-yl)acetate.
What is the SMILES notation for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(tetrazol-1-yl)acetate?
The canonical SMILES for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(tetrazol-1-yl)acetate is Cc1noc(COC(=O)Cn2cnnn2)n1.
What is the InChIKey of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(tetrazol-1-yl)acetate?
The InChIKey is VSLOTMNADNAHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O3/c1-5-9-6(16-10-5)3-15-7(14)2-13-4-8-11-12-13/h4H,2-3H2,1H3.
What are the key properties of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(tetrazol-1-yl)acetate?
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(tetrazol-1-yl)acetate has a molecular weight of 224.18 g/mol, XLogP of -0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(tetrazol-1-yl)acetate is sourced from PubChem (CID 24648281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).