(3S)-3-[4-[[(1R)-4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-(1,2-oxazol-3-yl)propanoic acid

C25H26N2O5 — CID 142745370

IUPAC(3S)-3-[4-[[(1R)-4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-(1,2-oxazol-3-yl)propanoic acid
SMILESO=C(O)C[C@@H](c1ccc(O[C@@H]2CCc3c2cccc3N2CCOCC2)cc1)c1ccon1
InChIInChI=1S/C25H26N2O5/c28-25(29)16-21(22-10-13-31-26-22)17-4-6-18(7-5-17)32-24-9-8-19-20(24)2-1-3-23(19)27-11-14-30-15-12-27/h1-7,10,13,21,24H,8-9,11-12,14-16H2,(H,28,29)/t21-,24+/m0/s1
InChIKeyAKIHAIQDOWSTSS-XUZZJYLKSA-N
MW434.49 g/mol
LogP4.18
Rot. Bonds7

About (3S)-3-[4-[[(1R)-4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-(1,2-oxazol-3-yl)propanoic acid

(3S)-3-[4-[[(1R)-4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-(1,2-oxazol-3-yl)propanoic acid (PubChem CID 142745370) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is (3S)-3-[4-[[(1R)-4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-(1,2-oxazol-3-yl)propanoic acid.

Molecular Properties

Compound Name(3S)-3-[4-[[(1R)-4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-(1,2-oxazol-3-yl)propanoic acid
PubChem CID142745370
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC Name(3S)-3-[4-[[(1R)-4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-(1,2-oxazol-3-yl)propanoic acid
SMILESO=C(O)C[C@@H](c1ccc(O[C@@H]2CCc3c2cccc3N2CCOCC2)cc1)c1ccon1
InChIInChI=1S/C25H26N2O5/c28-25(29)16-21(22-10-13-31-26-22)17-4-6-18(7-5-17)32-24-9-8-19-20(24)2-1-3-23(19)27-11-14-30-15-12-27/h1-7,10,13,21,24H,8-9,11-12,14-16H2,(H,28,29)/t21-,24+/m0/s1
InChIKeyAKIHAIQDOWSTSS-XUZZJYLKSA-N
XLogP4.18
TPSA85.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-3-[4-[[(1R)-4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-(1,2-oxazol-3-yl)propanoic 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 (3S)-3-[4-[[(1R)-4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-(1,2-oxazol-3-yl)propanoic acid?
The IUPAC name of (3S)-3-[4-[[(1R)-4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-(1,2-oxazol-3-yl)propanoic acid (CID 142745370) is (3S)-3-[4-[[(1R)-4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-(1,2-oxazol-3-yl)propanoic acid.
What is the SMILES notation for (3S)-3-[4-[[(1R)-4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-(1,2-oxazol-3-yl)propanoic acid?
The canonical SMILES for (3S)-3-[4-[[(1R)-4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-(1,2-oxazol-3-yl)propanoic acid is O=C(O)C[C@@H](c1ccc(O[C@@H]2CCc3c2cccc3N2CCOCC2)cc1)c1ccon1.
What is the InChIKey of (3S)-3-[4-[[(1R)-4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-(1,2-oxazol-3-yl)propanoic acid?
The InChIKey is AKIHAIQDOWSTSS-XUZZJYLKSA-N. The full InChI is InChI=1S/C25H26N2O5/c28-25(29)16-21(22-10-13-31-26-22)17-4-6-18(7-5-17)32-24-9-8-19-20(24)2-1-3-23(19)27-11-14-30-15-12-27/h1-7,10,13,21,24H,8-9,11-12,14-16H2,(H,28,29)/t21-,24+/m0/s1.
What are the key properties of (3S)-3-[4-[[(1R)-4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-(1,2-oxazol-3-yl)propanoic acid?
(3S)-3-[4-[[(1R)-4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-(1,2-oxazol-3-yl)propanoic acid has a molecular weight of 434.49 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-[[(1R)-4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-(1,2-oxazol-3-yl)propanoic acid is sourced from PubChem (CID 142745370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).