3-[4-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]phenyl]-2-methylpropanoic acid

C20H20N2O5 — CID 120541365

IUPAC3-[4-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]phenyl]-2-methylpropanoic acid
SMILESCc1oc(-c2ccco2)nc1CC(=O)Nc1ccc(CC(C)C(=O)O)cc1
InChIInChI=1S/C20H20N2O5/c1-12(20(24)25)10-14-5-7-15(8-6-14)21-18(23)11-16-13(2)27-19(22-16)17-4-3-9-26-17/h3-9,12H,10-11H2,1-2H3,(H,21,23)(H,24,25)
InChIKeyMHKPMPMLKICPQS-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.69
Rot. Bonds7

About 3-[4-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]phenyl]-2-methylpropanoic acid

3-[4-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]phenyl]-2-methylpropanoic acid (PubChem CID 120541365) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 3-[4-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]phenyl]-2-methylpropanoic acid
PubChem CID120541365
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name3-[4-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]phenyl]-2-methylpropanoic acid
SMILESCc1oc(-c2ccco2)nc1CC(=O)Nc1ccc(CC(C)C(=O)O)cc1
InChIInChI=1S/C20H20N2O5/c1-12(20(24)25)10-14-5-7-15(8-6-14)21-18(23)11-16-13(2)27-19(22-16)17-4-3-9-26-17/h3-9,12H,10-11H2,1-2H3,(H,21,23)(H,24,25)
InChIKeyMHKPMPMLKICPQS-UHFFFAOYSA-N
XLogP3.69
TPSA105.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[4-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]phenyl]-2-methylpropanoic acid with MolForge

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Related Compounds

(2R)-2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]propanoic acid
CID 119244019
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[3-[(1S)-1-methoxyethyl]phenyl]acetamide
CID 95321877
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 109387966
3-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-methylamino]-2-methylpropanoic acid
CID 119228152
2-[[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119242971
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(methylamino)propyl]acetamide;dihydrochloride
CID 120830795
3-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]propanoic acid
CID 82127717
2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-propan-2-ylamino]acetic acid
CID 119198240
N-ethyl-2-[4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]phenyl]-N-phenylacetamide
CID 52663048
4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 16620994
(2R)-2-methyl-3-[4-[[2-(6-methyl-3-pyridinyl)acetyl]amino]phenyl]propanoic acid
CID 129401449
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 109388347

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]phenyl]-2-methylpropanoic acid?
The IUPAC name of 3-[4-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]phenyl]-2-methylpropanoic acid (CID 120541365) is 3-[4-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 3-[4-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]phenyl]-2-methylpropanoic acid is Cc1oc(-c2ccco2)nc1CC(=O)Nc1ccc(CC(C)C(=O)O)cc1.
What is the InChIKey of 3-[4-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]phenyl]-2-methylpropanoic acid?
The InChIKey is MHKPMPMLKICPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-12(20(24)25)10-14-5-7-15(8-6-14)21-18(23)11-16-13(2)27-19(22-16)17-4-3-9-26-17/h3-9,12H,10-11H2,1-2H3,(H,21,23)(H,24,25).
What are the key properties of 3-[4-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]phenyl]-2-methylpropanoic acid?
3-[4-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]phenyl]-2-methylpropanoic acid has a molecular weight of 368.39 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 120541365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).