3-[[2-(2-methylfuran-3-yl)-1,3-oxazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid

C19H18N2O5 — CID 71239874

IUPAC3-[[2-(2-methylfuran-3-yl)-1,3-oxazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1C(CC(=O)O)NC(=O)c1coc(-c2ccoc2C)n1
InChIInChI=1S/C19H18N2O5/c1-11-5-3-4-6-13(11)15(9-17(22)23)20-18(24)16-10-26-19(21-16)14-7-8-25-12(14)2/h3-8,10,15H,9H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyQMKLRZKNADTNGA-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.50
Rot. Bonds6

About 3-[[2-(2-methylfuran-3-yl)-1,3-oxazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid

3-[[2-(2-methylfuran-3-yl)-1,3-oxazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid (PubChem CID 71239874) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 3-[[2-(2-methylfuran-3-yl)-1,3-oxazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-[[2-(2-methylfuran-3-yl)-1,3-oxazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
PubChem CID71239874
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name3-[[2-(2-methylfuran-3-yl)-1,3-oxazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1C(CC(=O)O)NC(=O)c1coc(-c2ccoc2C)n1
InChIInChI=1S/C19H18N2O5/c1-11-5-3-4-6-13(11)15(9-17(22)23)20-18(24)16-10-26-19(21-16)14-7-8-25-12(14)2/h3-8,10,15H,9H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyQMKLRZKNADTNGA-UHFFFAOYSA-N
XLogP3.50
TPSA105.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methylfuran-3-yl)-1,3-oxazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid?
The IUPAC name of 3-[[2-(2-methylfuran-3-yl)-1,3-oxazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid (CID 71239874) is 3-[[2-(2-methylfuran-3-yl)-1,3-oxazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid.
What is the SMILES notation for 3-[[2-(2-methylfuran-3-yl)-1,3-oxazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid?
The canonical SMILES for 3-[[2-(2-methylfuran-3-yl)-1,3-oxazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid is Cc1ccccc1C(CC(=O)O)NC(=O)c1coc(-c2ccoc2C)n1.
What is the InChIKey of 3-[[2-(2-methylfuran-3-yl)-1,3-oxazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid?
The InChIKey is QMKLRZKNADTNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-11-5-3-4-6-13(11)15(9-17(22)23)20-18(24)16-10-26-19(21-16)14-7-8-25-12(14)2/h3-8,10,15H,9H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 3-[[2-(2-methylfuran-3-yl)-1,3-oxazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid?
3-[[2-(2-methylfuran-3-yl)-1,3-oxazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid has a molecular weight of 354.36 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methylfuran-3-yl)-1,3-oxazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid is sourced from PubChem (CID 71239874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).