3-[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]propanoic acid

C12H18N2O3 — CID 106828244

IUPAC3-[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]propanoic acid
SMILESCC1(c2nnc(CCC(=O)O)o2)CCCCC1
InChIInChI=1S/C12H18N2O3/c1-12(7-3-2-4-8-12)11-14-13-9(17-11)5-6-10(15)16/h2-8H2,1H3,(H,15,16)
InChIKeyCZLXJQUBJITSGU-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.31
Rot. Bonds4

About 3-[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]propanoic acid

3-[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]propanoic acid (PubChem CID 106828244) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]propanoic acid
PubChem CID106828244
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]propanoic acid
SMILESCC1(c2nnc(CCC(=O)O)o2)CCCCC1
InChIInChI=1S/C12H18N2O3/c1-12(7-3-2-4-8-12)11-14-13-9(17-11)5-6-10(15)16/h2-8H2,1H3,(H,15,16)
InChIKeyCZLXJQUBJITSGU-UHFFFAOYSA-N
XLogP2.31
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106828822
[5-(1-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 115013269
4-[5-(2-methylthiolan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 81451652
[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 105429886
2-[5-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 115027380
3-[4-methyl-2-(1-methylcyclobutyl)-1,3-thiazol-5-yl]propanoic acid
CID 115043230
3-[2-(2-methyloxolan-2-yl)-1,3-oxazol-5-yl]propanoic acid
CID 115034900
4-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 60911431
2-(1-methylcyclobutyl)-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole
CID 115040962
3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 54928865
3-[5-[(4-tert-butylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]propanoic acid
CID 39432616
5-(5-methyl-1,3,4-oxadiazol-2-yl)pentanoic acid
CID 60911040

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]propanoic acid (CID 106828244) is 3-[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]propanoic acid is CC1(c2nnc(CCC(=O)O)o2)CCCCC1.
What is the InChIKey of 3-[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]propanoic acid?
The InChIKey is CZLXJQUBJITSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-12(7-3-2-4-8-12)11-14-13-9(17-11)5-6-10(15)16/h2-8H2,1H3,(H,15,16).
What are the key properties of 3-[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]propanoic acid?
3-[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]propanoic acid has a molecular weight of 238.29 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]propanoic acid is sourced from PubChem (CID 106828244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).