2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl-(2-phenylethyl)amino]acetic acid

C23H24N2O4 — CID 119347414

IUPAC2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl-(2-phenylethyl)amino]acetic acid
SMILESCc1ccc(-c2cnc(CCC(=O)N(CCc3ccccc3)CC(=O)O)o2)cc1
InChIInChI=1S/C23H24N2O4/c1-17-7-9-19(10-8-17)20-15-24-21(29-20)11-12-22(26)25(16-23(27)28)14-13-18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3,(H,27,28)
InChIKeyAAPQRPZBLUDDOE-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.74
Rot. Bonds9

About 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl-(2-phenylethyl)amino]acetic acid

2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl-(2-phenylethyl)amino]acetic acid (PubChem CID 119347414) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl-(2-phenylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl-(2-phenylethyl)amino]acetic acid
PubChem CID119347414
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl-(2-phenylethyl)amino]acetic acid
SMILESCc1ccc(-c2cnc(CCC(=O)N(CCc3ccccc3)CC(=O)O)o2)cc1
InChIInChI=1S/C23H24N2O4/c1-17-7-9-19(10-8-17)20-15-24-21(29-20)11-12-22(26)25(16-23(27)28)14-13-18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3,(H,27,28)
InChIKeyAAPQRPZBLUDDOE-UHFFFAOYSA-N
XLogP3.74
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxyethyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]acetic acid
CID 119188959
N-(2-aminoethyl)-N-(2-phenylethyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120885211
N-benzyl-N-(2-methoxyethyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 94562085
N-(2-anilino-2-oxoethyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 55637742
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 55518700
N-benzyl-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propanamide
CID 134011407
N-methyl-N-(4-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 60622214
N-(2-aminoethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)propanamide;dihydrochloride
CID 120886717
N-(3-hydroxybutyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 111695400
N-benzyl-N-phenyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 29438436
2-benzyl-5-(4-methylphenyl)-1,3-oxazole
CID 135058309
N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 60608120

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl-(2-phenylethyl)amino]acetic acid?
The IUPAC name of 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl-(2-phenylethyl)amino]acetic acid (CID 119347414) is 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl-(2-phenylethyl)amino]acetic acid.
What is the SMILES notation for 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl-(2-phenylethyl)amino]acetic acid?
The canonical SMILES for 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl-(2-phenylethyl)amino]acetic acid is Cc1ccc(-c2cnc(CCC(=O)N(CCc3ccccc3)CC(=O)O)o2)cc1.
What is the InChIKey of 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl-(2-phenylethyl)amino]acetic acid?
The InChIKey is AAPQRPZBLUDDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-17-7-9-19(10-8-17)20-15-24-21(29-20)11-12-22(26)25(16-23(27)28)14-13-18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3,(H,27,28).
What are the key properties of 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl-(2-phenylethyl)amino]acetic acid?
2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl-(2-phenylethyl)amino]acetic acid has a molecular weight of 392.46 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl-(2-phenylethyl)amino]acetic acid is sourced from PubChem (CID 119347414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).