2-[(1S)-5-[3-[4-(4-ethyl-1,3-oxazol-2-yl)phenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid

C25H27NO5 — CID 67018951

IUPAC2-[(1S)-5-[3-[4-(4-ethyl-1,3-oxazol-2-yl)phenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
SMILESCCc1coc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)cc2)n1
InChIInChI=1S/C25H27NO5/c1-2-20-16-31-25(26-20)17-6-8-21(9-7-17)29-12-3-13-30-22-10-11-23-18(14-22)4-5-19(23)15-24(27)28/h6-11,14,16,19H,2-5,12-13,15H2,1H3,(H,27,28)/t19-/m0/s1
InChIKeyWMDCEDMKHMYAHO-IBGZPJMESA-N
MW421.49 g/mol
LogP5.26
Rot. Bonds10

About 2-[(1S)-5-[3-[4-(4-ethyl-1,3-oxazol-2-yl)phenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid

2-[(1S)-5-[3-[4-(4-ethyl-1,3-oxazol-2-yl)phenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid (PubChem CID 67018951) has the molecular formula C25H27NO5 and a molecular weight of 421.49 g/mol. Its IUPAC name is 2-[(1S)-5-[3-[4-(4-ethyl-1,3-oxazol-2-yl)phenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(1S)-5-[3-[4-(4-ethyl-1,3-oxazol-2-yl)phenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
PubChem CID67018951
Molecular FormulaC25H27NO5
Molecular Weight421.49 g/mol
Exact Mass421.19
IUPAC Name2-[(1S)-5-[3-[4-(4-ethyl-1,3-oxazol-2-yl)phenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
SMILESCCc1coc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)cc2)n1
InChIInChI=1S/C25H27NO5/c1-2-20-16-31-25(26-20)17-6-8-21(9-7-17)29-12-3-13-30-22-10-11-23-18(14-22)4-5-19(23)15-24(27)28/h6-11,14,16,19H,2-5,12-13,15H2,1H3,(H,27,28)/t19-/m0/s1
InChIKeyWMDCEDMKHMYAHO-IBGZPJMESA-N
XLogP5.26
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.49
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(1S)-5-[3-[4-(4-ethyl-1,3-oxazol-2-yl)phenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]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-[(1S)-5-[3-[4-(4-ethyl-1,3-oxazol-2-yl)phenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid?
The IUPAC name of 2-[(1S)-5-[3-[4-(4-ethyl-1,3-oxazol-2-yl)phenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid (CID 67018951) is 2-[(1S)-5-[3-[4-(4-ethyl-1,3-oxazol-2-yl)phenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid.
What is the SMILES notation for 2-[(1S)-5-[3-[4-(4-ethyl-1,3-oxazol-2-yl)phenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid?
The canonical SMILES for 2-[(1S)-5-[3-[4-(4-ethyl-1,3-oxazol-2-yl)phenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid is CCc1coc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)cc2)n1.
What is the InChIKey of 2-[(1S)-5-[3-[4-(4-ethyl-1,3-oxazol-2-yl)phenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid?
The InChIKey is WMDCEDMKHMYAHO-IBGZPJMESA-N. The full InChI is InChI=1S/C25H27NO5/c1-2-20-16-31-25(26-20)17-6-8-21(9-7-17)29-12-3-13-30-22-10-11-23-18(14-22)4-5-19(23)15-24(27)28/h6-11,14,16,19H,2-5,12-13,15H2,1H3,(H,27,28)/t19-/m0/s1.
What are the key properties of 2-[(1S)-5-[3-[4-(4-ethyl-1,3-oxazol-2-yl)phenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid?
2-[(1S)-5-[3-[4-(4-ethyl-1,3-oxazol-2-yl)phenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid has a molecular weight of 421.49 g/mol, XLogP of 5.26, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-5-[3-[4-(4-ethyl-1,3-oxazol-2-yl)phenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid is sourced from PubChem (CID 67018951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).