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

C26H29NO5 — CID 10224945

IUPAC2-[5-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid
SMILESCCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4cccc(OC)c4)oc3C)ccc21
InChIInChI=1S/C26H29NO5/c1-4-21(26(28)29)23-10-8-17-14-20(9-11-22(17)23)31-13-12-24-16(2)32-25(27-24)18-6-5-7-19(15-18)30-3/h5-7,9,11,14-15,21,23H,4,8,10,12-13H2,1-3H3,(H,28,29)
InChIKeyRFRDALNUYIXSRW-UHFFFAOYSA-N
MW435.52 g/mol
LogP5.42
Rot. Bonds9

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

2-[5-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid (PubChem CID 10224945) has the molecular formula C26H29NO5 and a molecular weight of 435.52 g/mol. Its IUPAC name is 2-[5-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid.

Molecular Properties

Compound Name2-[5-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid
PubChem CID10224945
Molecular FormulaC26H29NO5
Molecular Weight435.52 g/mol
Exact Mass435.20
IUPAC Name2-[5-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid
SMILESCCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4cccc(OC)c4)oc3C)ccc21
InChIInChI=1S/C26H29NO5/c1-4-21(26(28)29)23-10-8-17-14-20(9-11-22(17)23)31-13-12-24-16(2)32-25(27-24)18-6-5-7-19(15-18)30-3/h5-7,9,11,14-15,21,23H,4,8,10,12-13H2,1-3H3,(H,28,29)
InChIKeyRFRDALNUYIXSRW-UHFFFAOYSA-N
XLogP5.42
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid?
The IUPAC name of 2-[5-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid (CID 10224945) is 2-[5-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid.
What is the SMILES notation for 2-[5-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid?
The canonical SMILES for 2-[5-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid is CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4cccc(OC)c4)oc3C)ccc21.
What is the InChIKey of 2-[5-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid?
The InChIKey is RFRDALNUYIXSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO5/c1-4-21(26(28)29)23-10-8-17-14-20(9-11-22(17)23)31-13-12-24-16(2)32-25(27-24)18-6-5-7-19(15-18)30-3/h5-7,9,11,14-15,21,23H,4,8,10,12-13H2,1-3H3,(H,28,29).
What are the key properties of 2-[5-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid?
2-[5-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid has a molecular weight of 435.52 g/mol, XLogP of 5.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid is sourced from PubChem (CID 10224945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).