1-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid

C14H22N4O3 — CID 115437171

IUPAC1-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(Cn2nnnc2C2CCCCO2)CCCCC1
InChIInChI=1S/C14H22N4O3/c19-13(20)14(7-3-1-4-8-14)10-18-12(15-16-17-18)11-6-2-5-9-21-11/h11H,1-10H2,(H,19,20)
InChIKeyIRZHBVIHVAQWRQ-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.95
Rot. Bonds4

About 1-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid

1-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid (PubChem CID 115437171) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
PubChem CID115437171
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name1-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(Cn2nnnc2C2CCCCO2)CCCCC1
InChIInChI=1S/C14H22N4O3/c19-13(20)14(7-3-1-4-8-14)10-18-12(15-16-17-18)11-6-2-5-9-21-11/h11H,1-10H2,(H,19,20)
InChIKeyIRZHBVIHVAQWRQ-UHFFFAOYSA-N
XLogP1.95
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid (CID 115437171) is 1-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid is O=C(O)C1(Cn2nnnc2C2CCCCO2)CCCCC1.
What is the InChIKey of 1-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is IRZHBVIHVAQWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c19-13(20)14(7-3-1-4-8-14)10-18-12(15-16-17-18)11-6-2-5-9-21-11/h11H,1-10H2,(H,19,20).
What are the key properties of 1-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid?
1-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 294.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115437171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).