2-[3-[2-(4,5-dicyclohexyl-1,3-oxazol-2-yl)ethyl]phenoxy]acetic acid

C25H33NO4 — CID 10431762

IUPAC2-[3-[2-(4,5-dicyclohexyl-1,3-oxazol-2-yl)ethyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(CCc2nc(C3CCCCC3)c(C3CCCCC3)o2)c1
InChIInChI=1S/C25H33NO4/c27-23(28)17-29-21-13-7-8-18(16-21)14-15-22-26-24(19-9-3-1-4-10-19)25(30-22)20-11-5-2-6-12-20/h7-8,13,16,19-20H,1-6,9-12,14-15,17H2,(H,27,28)
InChIKeyCUNCZZQVROQQQJ-UHFFFAOYSA-N
MW411.54 g/mol
LogP6.02
Rot. Bonds8

About 2-[3-[2-(4,5-dicyclohexyl-1,3-oxazol-2-yl)ethyl]phenoxy]acetic acid

2-[3-[2-(4,5-dicyclohexyl-1,3-oxazol-2-yl)ethyl]phenoxy]acetic acid (PubChem CID 10431762) has the molecular formula C25H33NO4 and a molecular weight of 411.54 g/mol. Its IUPAC name is 2-[3-[2-(4,5-dicyclohexyl-1,3-oxazol-2-yl)ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(4,5-dicyclohexyl-1,3-oxazol-2-yl)ethyl]phenoxy]acetic acid
PubChem CID10431762
Molecular FormulaC25H33NO4
Molecular Weight411.54 g/mol
Exact Mass411.24
IUPAC Name2-[3-[2-(4,5-dicyclohexyl-1,3-oxazol-2-yl)ethyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(CCc2nc(C3CCCCC3)c(C3CCCCC3)o2)c1
InChIInChI=1S/C25H33NO4/c27-23(28)17-29-21-13-7-8-18(16-21)14-15-22-26-24(19-9-3-1-4-10-19)25(30-22)20-11-5-2-6-12-20/h7-8,13,16,19-20H,1-6,9-12,14-15,17H2,(H,27,28)
InChIKeyCUNCZZQVROQQQJ-UHFFFAOYSA-N
XLogP6.02
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.54
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[2-(4,5-dicyclohexyl-1,3-oxazol-2-yl)ethyl]phenoxy]acetic 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 2-[3-[2-(4,5-dicyclohexyl-1,3-oxazol-2-yl)ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[2-(4,5-dicyclohexyl-1,3-oxazol-2-yl)ethyl]phenoxy]acetic acid (CID 10431762) is 2-[3-[2-(4,5-dicyclohexyl-1,3-oxazol-2-yl)ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[2-(4,5-dicyclohexyl-1,3-oxazol-2-yl)ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[2-(4,5-dicyclohexyl-1,3-oxazol-2-yl)ethyl]phenoxy]acetic acid is O=C(O)COc1cccc(CCc2nc(C3CCCCC3)c(C3CCCCC3)o2)c1.
What is the InChIKey of 2-[3-[2-(4,5-dicyclohexyl-1,3-oxazol-2-yl)ethyl]phenoxy]acetic acid?
The InChIKey is CUNCZZQVROQQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO4/c27-23(28)17-29-21-13-7-8-18(16-21)14-15-22-26-24(19-9-3-1-4-10-19)25(30-22)20-11-5-2-6-12-20/h7-8,13,16,19-20H,1-6,9-12,14-15,17H2,(H,27,28).
What are the key properties of 2-[3-[2-(4,5-dicyclohexyl-1,3-oxazol-2-yl)ethyl]phenoxy]acetic acid?
2-[3-[2-(4,5-dicyclohexyl-1,3-oxazol-2-yl)ethyl]phenoxy]acetic acid has a molecular weight of 411.54 g/mol, XLogP of 6.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4,5-dicyclohexyl-1,3-oxazol-2-yl)ethyl]phenoxy]acetic acid is sourced from PubChem (CID 10431762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).