3-undecan-5-yl-1,2,4-oxadiazole-5-carboxylic acid

C14H24N2O3 — CID 155306010

IUPAC3-undecan-5-yl-1,2,4-oxadiazole-5-carboxylic acid
SMILESCCCCCCC(CCCC)c1noc(C(=O)O)n1
InChIInChI=1S/C14H24N2O3/c1-3-5-7-8-10-11(9-6-4-2)12-15-13(14(17)18)19-16-12/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyOSJVECPEXUZSSB-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.01
Rot. Bonds10

About 3-undecan-5-yl-1,2,4-oxadiazole-5-carboxylic acid

3-undecan-5-yl-1,2,4-oxadiazole-5-carboxylic acid (PubChem CID 155306010) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-undecan-5-yl-1,2,4-oxadiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-undecan-5-yl-1,2,4-oxadiazole-5-carboxylic acid
PubChem CID155306010
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-undecan-5-yl-1,2,4-oxadiazole-5-carboxylic acid
SMILESCCCCCCC(CCCC)c1noc(C(=O)O)n1
InChIInChI=1S/C14H24N2O3/c1-3-5-7-8-10-11(9-6-4-2)12-15-13(14(17)18)19-16-12/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyOSJVECPEXUZSSB-UHFFFAOYSA-N
XLogP4.01
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 165484826
4-dodecan-5-yl-3,5-dimethyl-1,2-oxazole
CID 170386435
3-butylundecan-2-one
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3-pyrimidin-5-ylnonanoic acid
CID 151003204
acetic acid;decane
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acetic acid;nonane
CID 174272180
5-heptyl-1,2,4-oxadiazole-3-carboxylic acid
CID 63448668
3-pentadecan-8-yl-4H-1,2,4-oxadiazol-5-one
CID 137233049
2-tridecan-7-ylbenzene-1,3-dicarboxylic acid
CID 174717737
2-icosylpropanedioic acid
CID 11582738

Frequently Asked Questions

What is the IUPAC name of 3-undecan-5-yl-1,2,4-oxadiazole-5-carboxylic acid?
The IUPAC name of 3-undecan-5-yl-1,2,4-oxadiazole-5-carboxylic acid (CID 155306010) is 3-undecan-5-yl-1,2,4-oxadiazole-5-carboxylic acid.
What is the SMILES notation for 3-undecan-5-yl-1,2,4-oxadiazole-5-carboxylic acid?
The canonical SMILES for 3-undecan-5-yl-1,2,4-oxadiazole-5-carboxylic acid is CCCCCCC(CCCC)c1noc(C(=O)O)n1.
What is the InChIKey of 3-undecan-5-yl-1,2,4-oxadiazole-5-carboxylic acid?
The InChIKey is OSJVECPEXUZSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-5-7-8-10-11(9-6-4-2)12-15-13(14(17)18)19-16-12/h11H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 3-undecan-5-yl-1,2,4-oxadiazole-5-carboxylic acid?
3-undecan-5-yl-1,2,4-oxadiazole-5-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 4.01, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-undecan-5-yl-1,2,4-oxadiazole-5-carboxylic acid is sourced from PubChem (CID 155306010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).