6-cyclohexyl-3-(4-ethoxycarbonyl-1,3-oxazol-2-yl)hexanoic acid

C18H27NO5 — CID 22480793

IUPAC6-cyclohexyl-3-(4-ethoxycarbonyl-1,3-oxazol-2-yl)hexanoic acid
SMILESCCOC(=O)c1coc(C(CCCC2CCCCC2)CC(=O)O)n1
InChIInChI=1S/C18H27NO5/c1-2-23-18(22)15-12-24-17(19-15)14(11-16(20)21)10-6-9-13-7-4-3-5-8-13/h12-14H,2-11H2,1H3,(H,20,21)
InChIKeyFJWCNSHQAJTXOJ-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.16
Rot. Bonds9

About 6-cyclohexyl-3-(4-ethoxycarbonyl-1,3-oxazol-2-yl)hexanoic acid

6-cyclohexyl-3-(4-ethoxycarbonyl-1,3-oxazol-2-yl)hexanoic acid (PubChem CID 22480793) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is 6-cyclohexyl-3-(4-ethoxycarbonyl-1,3-oxazol-2-yl)hexanoic acid.

Molecular Properties

Compound Name6-cyclohexyl-3-(4-ethoxycarbonyl-1,3-oxazol-2-yl)hexanoic acid
PubChem CID22480793
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC Name6-cyclohexyl-3-(4-ethoxycarbonyl-1,3-oxazol-2-yl)hexanoic acid
SMILESCCOC(=O)c1coc(C(CCCC2CCCCC2)CC(=O)O)n1
InChIInChI=1S/C18H27NO5/c1-2-23-18(22)15-12-24-17(19-15)14(11-16(20)21)10-6-9-13-7-4-3-5-8-13/h12-14H,2-11H2,1H3,(H,20,21)
InChIKeyFJWCNSHQAJTXOJ-UHFFFAOYSA-N
XLogP4.16
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-cyclohexyl-3-(4-ethoxycarbonyl-1,3-oxazol-2-yl)hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-3-(4-ethoxycarbonyl-1,3-oxazol-2-yl)hexanoic acid?
The IUPAC name of 6-cyclohexyl-3-(4-ethoxycarbonyl-1,3-oxazol-2-yl)hexanoic acid (CID 22480793) is 6-cyclohexyl-3-(4-ethoxycarbonyl-1,3-oxazol-2-yl)hexanoic acid.
What is the SMILES notation for 6-cyclohexyl-3-(4-ethoxycarbonyl-1,3-oxazol-2-yl)hexanoic acid?
The canonical SMILES for 6-cyclohexyl-3-(4-ethoxycarbonyl-1,3-oxazol-2-yl)hexanoic acid is CCOC(=O)c1coc(C(CCCC2CCCCC2)CC(=O)O)n1.
What is the InChIKey of 6-cyclohexyl-3-(4-ethoxycarbonyl-1,3-oxazol-2-yl)hexanoic acid?
The InChIKey is FJWCNSHQAJTXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO5/c1-2-23-18(22)15-12-24-17(19-15)14(11-16(20)21)10-6-9-13-7-4-3-5-8-13/h12-14H,2-11H2,1H3,(H,20,21).
What are the key properties of 6-cyclohexyl-3-(4-ethoxycarbonyl-1,3-oxazol-2-yl)hexanoic acid?
6-cyclohexyl-3-(4-ethoxycarbonyl-1,3-oxazol-2-yl)hexanoic acid has a molecular weight of 337.42 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-3-(4-ethoxycarbonyl-1,3-oxazol-2-yl)hexanoic acid is sourced from PubChem (CID 22480793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).