2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid

C23H23NO4 — CID 10199589

IUPAC2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CCC2CC(=O)O
InChIInChI=1S/C23H23NO4/c1-15-21(24-23(28-15)16-5-3-2-4-6-16)11-12-27-19-9-10-20-17(13-19)7-8-18(20)14-22(25)26/h2-6,9-10,13,18H,7-8,11-12,14H2,1H3,(H,25,26)
InChIKeyLFIBJUGNWDZWLQ-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.78
Rot. Bonds7

About 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid

2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid (PubChem CID 10199589) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
PubChem CID10199589
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CCC2CC(=O)O
InChIInChI=1S/C23H23NO4/c1-15-21(24-23(28-15)16-5-3-2-4-6-16)11-12-27-19-9-10-20-17(13-19)7-8-18(20)14-22(25)26/h2-6,9-10,13,18H,7-8,11-12,14H2,1H3,(H,25,26)
InChIKeyLFIBJUGNWDZWLQ-UHFFFAOYSA-N
XLogP4.78
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid?
The IUPAC name of 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid (CID 10199589) is 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid?
The canonical SMILES for 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid is Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CCC2CC(=O)O.
What is the InChIKey of 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid?
The InChIKey is LFIBJUGNWDZWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-15-21(24-23(28-15)16-5-3-2-4-6-16)11-12-27-19-9-10-20-17(13-19)7-8-18(20)14-22(25)26/h2-6,9-10,13,18H,7-8,11-12,14H2,1H3,(H,25,26).
What are the key properties of 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid?
2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid has a molecular weight of 377.44 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid is sourced from PubChem (CID 10199589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).