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

C18H22N2O4 — CID 120516514

IUPAC3-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]propanoic acid
SMILESCc1nc(-c2ccccc2)oc1C(=O)N(CCC(=O)O)CC(C)C
InChIInChI=1S/C18H22N2O4/c1-12(2)11-20(10-9-15(21)22)18(23)16-13(3)19-17(24-16)14-7-5-4-6-8-14/h4-8,12H,9-11H2,1-3H3,(H,21,22)
InChIKeyWTKSQUYIGAWWLS-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.22
Rot. Bonds7

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

3-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]propanoic acid (PubChem CID 120516514) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]propanoic acid
PubChem CID120516514
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name3-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]propanoic acid
SMILESCc1nc(-c2ccccc2)oc1C(=O)N(CCC(=O)O)CC(C)C
InChIInChI=1S/C18H22N2O4/c1-12(2)11-20(10-9-15(21)22)18(23)16-13(3)19-17(24-16)14-7-5-4-6-8-14/h4-8,12H,9-11H2,1-3H3,(H,21,22)
InChIKeyWTKSQUYIGAWWLS-UHFFFAOYSA-N
XLogP3.22
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]propanoic 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-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119190582
3-[3-ethoxypropyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 120520336
3-[cyclopropyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 120535407
3-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl-(2-methylpropyl)amino]propanoic acid
CID 119190566
2-[(2-aminophenyl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetic acid
CID 44571126
N-[2-(dimethylamino)ethyl]-4-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-5-carboxamide
CID 126773744
2-methyl-2-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
CID 120518600
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide
CID 119609069
3-[(5-chlorofuran-2-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 75418009
4-methyl-N-[2-(methylamino)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 119504426
N-[2-(N-ethyl-2-methylanilino)ethyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide
CID 71873836
methyl 3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-(2-methylpropyl)amino]propanoate
CID 55818810

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]propanoic acid?
The IUPAC name of 3-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]propanoic acid (CID 120516514) is 3-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]propanoic acid is Cc1nc(-c2ccccc2)oc1C(=O)N(CCC(=O)O)CC(C)C.
What is the InChIKey of 3-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]propanoic acid?
The InChIKey is WTKSQUYIGAWWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12(2)11-20(10-9-15(21)22)18(23)16-13(3)19-17(24-16)14-7-5-4-6-8-14/h4-8,12H,9-11H2,1-3H3,(H,21,22).
What are the key properties of 3-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]propanoic acid?
3-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]propanoic acid has a molecular weight of 330.38 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]propanoic acid is sourced from PubChem (CID 120516514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).