2-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetic acid

C13H20N2O3 — CID 65422885

IUPAC2-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetic acid
SMILESCCCC1CCC(c2noc(CC(=O)O)n2)CC1
InChIInChI=1S/C13H20N2O3/c1-2-3-9-4-6-10(7-5-9)13-14-11(18-15-13)8-12(16)17/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyGFABRNMHDFVXAG-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.77
Rot. Bonds5

About 2-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetic acid

2-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetic acid (PubChem CID 65422885) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetic acid
PubChem CID65422885
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetic acid
SMILESCCCC1CCC(c2noc(CC(=O)O)n2)CC1
InChIInChI=1S/C13H20N2O3/c1-2-3-9-4-6-10(7-5-9)13-14-11(18-15-13)8-12(16)17/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyGFABRNMHDFVXAG-UHFFFAOYSA-N
XLogP2.77
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 65424036
4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79192299
1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65423654
3-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65424422
2-[3-(thietan-3-yl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 84669424
N-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine
CID 79273260
2-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 115336062
2-[3-[(1S,2R)-2-methylcyclopropyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 124509489
[1-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81164248
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 63346866
3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 65406908
N-ethyl-4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65400186

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetic acid?
The IUPAC name of 2-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetic acid (CID 65422885) is 2-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetic acid is CCCC1CCC(c2noc(CC(=O)O)n2)CC1.
What is the InChIKey of 2-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetic acid?
The InChIKey is GFABRNMHDFVXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-3-9-4-6-10(7-5-9)13-14-11(18-15-13)8-12(16)17/h9-10H,2-8H2,1H3,(H,16,17).
What are the key properties of 2-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetic acid?
2-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetic acid has a molecular weight of 252.31 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetic acid is sourced from PubChem (CID 65422885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).