(2S)-2-ethoxy-2-[[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]butanoic acid

C23H27NO6 — CID 68882694

IUPAC(2S)-2-ethoxy-2-[[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]butanoic acid
SMILESCCO[C@@](CC)(Cc1ccc(OCCc2nc(-c3ccco3)oc2C)cc1)C(=O)O
InChIInChI=1S/C23H27NO6/c1-4-23(22(25)26,29-5-2)15-17-8-10-18(11-9-17)27-14-12-19-16(3)30-21(24-19)20-7-6-13-28-20/h6-11,13H,4-5,12,14-15H2,1-3H3,(H,25,26)/t23-/m0/s1
InChIKeyZSFPBCULIODCAR-QHCPKHFHSA-N
MW413.47 g/mol
LogP4.68
Rot. Bonds11

About (2S)-2-ethoxy-2-[[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]butanoic acid

(2S)-2-ethoxy-2-[[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]butanoic acid (PubChem CID 68882694) has the molecular formula C23H27NO6 and a molecular weight of 413.47 g/mol. Its IUPAC name is (2S)-2-ethoxy-2-[[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]butanoic acid.

Molecular Properties

Compound Name(2S)-2-ethoxy-2-[[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]butanoic acid
PubChem CID68882694
Molecular FormulaC23H27NO6
Molecular Weight413.47 g/mol
Exact Mass413.18
IUPAC Name(2S)-2-ethoxy-2-[[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]butanoic acid
SMILESCCO[C@@](CC)(Cc1ccc(OCCc2nc(-c3ccco3)oc2C)cc1)C(=O)O
InChIInChI=1S/C23H27NO6/c1-4-23(22(25)26,29-5-2)15-17-8-10-18(11-9-17)27-14-12-19-16(3)30-21(24-19)20-7-6-13-28-20/h6-11,13H,4-5,12,14-15H2,1-3H3,(H,25,26)/t23-/m0/s1
InChIKeyZSFPBCULIODCAR-QHCPKHFHSA-N
XLogP4.68
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-ethoxy-2-[[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]butanoic acid with MolForge

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Related Compounds

3-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]propanoic acid
CID 82127717
[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methanol
CID 68886081
3-ethoxy-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-3-oxopropanoic acid
CID 10788402
ethyl 2-methyl-3-[4-[2-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]ethoxy]phenyl]-2-phenoxypropanoate
CID 20823135
2-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile
CID 23176295
2-methyl-2-(4-methylphenoxy)-3-[4-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
CID 22340017
ethyl 2-methyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoate
CID 11025958
ethyl 2-ethoxy-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 74368608
4-[2-[4-(chloromethyl)phenoxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 11809594
3-[4-[2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]-2-methyl-2-phenoxypropanoic acid
CID 22339980
2-methyl-3-[4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]-2-[4-(trifluoromethyl)phenoxy]propanoic acid
CID 10188927
2-[carboxymethyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 11189438

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-2-[[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]butanoic acid?
The IUPAC name of (2S)-2-ethoxy-2-[[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]butanoic acid (CID 68882694) is (2S)-2-ethoxy-2-[[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]butanoic acid.
What is the SMILES notation for (2S)-2-ethoxy-2-[[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]butanoic acid?
The canonical SMILES for (2S)-2-ethoxy-2-[[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]butanoic acid is CCO[C@@](CC)(Cc1ccc(OCCc2nc(-c3ccco3)oc2C)cc1)C(=O)O.
What is the InChIKey of (2S)-2-ethoxy-2-[[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]butanoic acid?
The InChIKey is ZSFPBCULIODCAR-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H27NO6/c1-4-23(22(25)26,29-5-2)15-17-8-10-18(11-9-17)27-14-12-19-16(3)30-21(24-19)20-7-6-13-28-20/h6-11,13H,4-5,12,14-15H2,1-3H3,(H,25,26)/t23-/m0/s1.
What are the key properties of (2S)-2-ethoxy-2-[[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]butanoic acid?
(2S)-2-ethoxy-2-[[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]butanoic acid has a molecular weight of 413.47 g/mol, XLogP of 4.68, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-2-[[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]butanoic acid is sourced from PubChem (CID 68882694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).