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

C25H27NO4 — CID 10294697

IUPAC2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid
SMILESCCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc21
InChIInChI=1S/C25H27NO4/c1-3-20(25(27)28)22-11-9-18-15-19(10-12-21(18)22)29-14-13-23-16(2)30-24(26-23)17-7-5-4-6-8-17/h4-8,10,12,15,20,22H,3,9,11,13-14H2,1-2H3,(H,27,28)
InChIKeyXQWUEDSGGNBHSG-UHFFFAOYSA-N
MW405.49 g/mol
LogP5.41
Rot. Bonds8

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

2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid (PubChem CID 10294697) has the molecular formula C25H27NO4 and a molecular weight of 405.49 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]butanoic acid.

Molecular Properties

Compound Name2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid
PubChem CID10294697
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC Name2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid
SMILESCCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc21
InChIInChI=1S/C25H27NO4/c1-3-20(25(27)28)22-11-9-18-15-19(10-12-21(18)22)29-14-13-23-16(2)30-24(26-23)17-7-5-4-6-8-17/h4-8,10,12,15,20,22H,3,9,11,13-14H2,1-2H3,(H,27,28)
InChIKeyXQWUEDSGGNBHSG-UHFFFAOYSA-N
XLogP5.41
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.49
LogP ≤ 55.41
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]butanoic 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]butanoic acid (CID 10294697) is 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic 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]butanoic 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]butanoic acid is CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc21.
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]butanoic acid?
The InChIKey is XQWUEDSGGNBHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-3-20(25(27)28)22-11-9-18-15-19(10-12-21(18)22)29-14-13-23-16(2)30-24(26-23)17-7-5-4-6-8-17/h4-8,10,12,15,20,22H,3,9,11,13-14H2,1-2H3,(H,27,28).
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]butanoic acid?
2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid has a molecular weight of 405.49 g/mol, XLogP of 5.41, 8 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]butanoic acid is sourced from PubChem (CID 10294697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).