(1S)-2-[4-[[7-fluoro-4-[4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid

C28H25FN2O5 — CID 134387807

About (1S)-2-[4-[[7-fluoro-4-[4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid

(1S)-2-[4-[[7-fluoro-4-[4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 134387807) has the molecular formula C28H25FN2O5 and a molecular weight of 488.52 g/mol. Its IUPAC name is (1S)-2-[4-[[7-fluoro-4-[4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

• Compound Name: (1S)-2-[4-[[7-fluoro-4-[4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid
• PubChem CID: 134387807
• Molecular Formula: C28H25FN2O5
• Molecular Weight: 488.52 g/mol
• Exact Mass: 488.17
• IUPAC Name: (1S)-2-[4-[[7-fluoro-4-[4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid
• SMILES: CC1N=C(c2ccc(Oc3ccc(F)c4c3CCC4Oc3ccc(C4C[C@@H]4C(=O)O)cc3)cc2)NO1
• InChI: InChI=1S/C28H25FN2O5/c1-15-30-27(31-36-15)17-4-8-18(9-5-17)34-24-13-11-23(29)26-20(24)10-12-25(26)35-19-6-2-16(3-7-19)21-14-22(21)28(32)33/h2-9,11,13,15,21-22,25H,10,12,14H2,1H3,(H,30,31)(H,32,33)/t15?,21?,22-,25?/m0/s1
• InChIKey: JOZIKHMQWHWZPH-AJOBPGKNSA-N
• XLogP: 5.50
• TPSA: 89.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.52
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[4-[[7-fluoro-4-[4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid?

The IUPAC name of (1S)-2-[4-[[7-fluoro-4-[4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid (CID 134387807) is (1S)-2-[4-[[7-fluoro-4-[4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid.

What is the SMILES notation for (1S)-2-[4-[[7-fluoro-4-[4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid?

The canonical SMILES for (1S)-2-[4-[[7-fluoro-4-[4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid is CC1N=C(c2ccc(Oc3ccc(F)c4c3CCC4Oc3ccc(C4C[C@@H]4C(=O)O)cc3)cc2)NO1.

What is the InChIKey of (1S)-2-[4-[[7-fluoro-4-[4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid?

The InChIKey is JOZIKHMQWHWZPH-AJOBPGKNSA-N. The full InChI is InChI=1S/C28H25FN2O5/c1-15-30-27(31-36-15)17-4-8-18(9-5-17)34-24-13-11-23(29)26-20(24)10-12-25(26)35-19-6-2-16(3-7-19)21-14-22(21)28(32)33/h2-9,11,13,15,21-22,25H,10,12,14H2,1H3,(H,30,31)(H,32,33)/t15?,21?,22-,25?/m0/s1.

What are the key properties of (1S)-2-[4-[[7-fluoro-4-[4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid?

(1S)-2-[4-[[7-fluoro-4-[4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 488.52 g/mol, XLogP of 5.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-2-[4-[[7-fluoro-4-[4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 134387807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).