2-[(2-aminophenyl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetic acid

C20H19N3O4 — CID 44571126

IUPAC2-[(2-aminophenyl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetic acid
SMILESCc1nc(-c2ccccc2)oc1C(=O)N(CC(=O)O)Cc1ccccc1N
InChIInChI=1S/C20H19N3O4/c1-13-18(27-19(22-13)14-7-3-2-4-8-14)20(26)23(12-17(24)25)11-15-9-5-6-10-16(15)21/h2-10H,11-12,21H2,1H3,(H,24,25)
InChIKeyWWOPWFVSAGTDTP-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.96
Rot. Bonds6

About 2-[(2-aminophenyl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetic acid

2-[(2-aminophenyl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetic acid (PubChem CID 44571126) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetic acid
PubChem CID44571126
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name2-[(2-aminophenyl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetic acid
SMILESCc1nc(-c2ccccc2)oc1C(=O)N(CC(=O)O)Cc1ccccc1N
InChIInChI=1S/C20H19N3O4/c1-13-18(27-19(22-13)14-7-3-2-4-8-14)20(26)23(12-17(24)25)11-15-9-5-6-10-16(15)21/h2-10H,11-12,21H2,1H3,(H,24,25)
InChIKeyWWOPWFVSAGTDTP-UHFFFAOYSA-N
XLogP2.96
TPSA109.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[(2-aminophenyl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 120516514
2-[[2-(3-acetyloxyphenyl)-4-methyl-1,3-oxazole-5-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
CID 24805060
N-[2-(dimethylamino)ethyl]-4-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-5-carboxamide
CID 126773744
2-[benzyl-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid
CID 120517979
3-[cyclopropyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 120535407
3-[3-ethoxypropyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 120520336
4-methyl-N-[2-(methylamino)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 119504426
2-[[4-[[2-(2-aminophenyl)acetyl]amino]benzoyl]-[[4-[5-[4-(4-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]amino]acetic acid
CID 89284845
1-[methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120540320
N-[2-(N-ethyl-2-methylanilino)ethyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide
CID 71873836
N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-2-methylpyrazole-3-carboxamide
CID 62921137
2-[(2-methylphenyl)methyl-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]acetic acid
CID 75383563

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-aminophenyl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetic acid (CID 44571126) is 2-[(2-aminophenyl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-aminophenyl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetic acid is Cc1nc(-c2ccccc2)oc1C(=O)N(CC(=O)O)Cc1ccccc1N.
What is the InChIKey of 2-[(2-aminophenyl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetic acid?
The InChIKey is WWOPWFVSAGTDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-13-18(27-19(22-13)14-7-3-2-4-8-14)20(26)23(12-17(24)25)11-15-9-5-6-10-16(15)21/h2-10H,11-12,21H2,1H3,(H,24,25).
What are the key properties of 2-[(2-aminophenyl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetic acid?
2-[(2-aminophenyl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetic acid has a molecular weight of 365.39 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 44571126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).