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

C23H24N2O4 — CID 119243082

IUPAC2-[(3-methylphenyl)methyl]-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
SMILESCc1cccc(CC(CNC(=O)Cc2nc(-c3ccccc3)oc2C)C(=O)O)c1
InChIInChI=1S/C23H24N2O4/c1-15-7-6-8-17(11-15)12-19(23(27)28)14-24-21(26)13-20-16(2)29-22(25-20)18-9-4-3-5-10-18/h3-11,19H,12-14H2,1-2H3,(H,24,26)(H,27,28)
InChIKeyWEVFXJOVZNIMBV-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.56
Rot. Bonds8

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

2-[(3-methylphenyl)methyl]-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid (PubChem CID 119243082) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methyl]-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[(3-methylphenyl)methyl]-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
PubChem CID119243082
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name2-[(3-methylphenyl)methyl]-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
SMILESCc1cccc(CC(CNC(=O)Cc2nc(-c3ccccc3)oc2C)C(=O)O)c1
InChIInChI=1S/C23H24N2O4/c1-15-7-6-8-17(11-15)12-19(23(27)28)14-24-21(26)13-20-16(2)29-22(25-20)18-9-4-3-5-10-18/h3-11,19H,12-14H2,1-2H3,(H,24,26)(H,27,28)
InChIKeyWEVFXJOVZNIMBV-UHFFFAOYSA-N
XLogP3.56
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119242971
2-[[4-methoxy-3-[[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]methyl]phenyl]methyl]butanoic acid
CID 142055877
N-(4-hydroxy-2-methylpentyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 111447499
2-[[(2-benzamidoacetyl)amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243253
2-[[4-methoxy-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]phenyl]methyl]butanoic acid
CID 22494098
N-ethyl-3-[[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]methyl]benzamide
CID 55724396
2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide
CID 110620548
N-[2-(methylamino)-2-oxoethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 32562086
(2S)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119238230
N-(3-aminobutyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 119497322
2-[(3-methylphenyl)methyl]-3-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119243233
benzyl 2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]acetate
CID 33283682

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methyl]-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[(3-methylphenyl)methyl]-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid (CID 119243082) is 2-[(3-methylphenyl)methyl]-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[(3-methylphenyl)methyl]-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[(3-methylphenyl)methyl]-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid is Cc1cccc(CC(CNC(=O)Cc2nc(-c3ccccc3)oc2C)C(=O)O)c1.
What is the InChIKey of 2-[(3-methylphenyl)methyl]-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid?
The InChIKey is WEVFXJOVZNIMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-15-7-6-8-17(11-15)12-19(23(27)28)14-24-21(26)13-20-16(2)29-22(25-20)18-9-4-3-5-10-18/h3-11,19H,12-14H2,1-2H3,(H,24,26)(H,27,28).
What are the key properties of 2-[(3-methylphenyl)methyl]-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid?
2-[(3-methylphenyl)methyl]-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid has a molecular weight of 392.46 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methyl]-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119243082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).