1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone

C10H16N4O3 — CID 107047523

IUPAC1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCOC1(C(=O)Cc2nnn(C)n2)CCOCC1
InChIInChI=1S/C10H16N4O3/c1-14-12-9(11-13-14)7-8(15)10(16-2)3-5-17-6-4-10/h3-7H2,1-2H3
InChIKeyHGQCGSCONUHISR-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.48
Rot. Bonds4

About 1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone

1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107047523) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107047523
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCOC1(C(=O)Cc2nnn(C)n2)CCOCC1
InChIInChI=1S/C10H16N4O3/c1-14-12-9(11-13-14)7-8(15)10(16-2)3-5-17-6-4-10/h3-7H2,1-2H3
InChIKeyHGQCGSCONUHISR-UHFFFAOYSA-N
XLogP-0.48
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(2-Methyltetrazol-5-yl)methyl]oxan-4-one
CID 107044558
2-(2-Methyltetrazol-5-yl)-1-(oxan-4-yl)ethanone
CID 107047130
1-(2-Methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047316
1-(2-Methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047353
3-Methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047489
3-Ethoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047491
3-Ethoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047500
3-Ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107047503
3-Methoxy-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047506
3-Ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047509
3-Ethoxy-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047511
3-Ethyl-3-methoxy-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047513

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107047523) is 1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone is COC1(C(=O)Cc2nnn(C)n2)CCOCC1.
What is the InChIKey of 1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is HGQCGSCONUHISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-14-12-9(11-13-14)7-8(15)10(16-2)3-5-17-6-4-10/h3-7H2,1-2H3.
What are the key properties of 1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 240.26 g/mol, XLogP of -0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyoxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107047523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).