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

C20H26N2O4 — CID 119190566

IUPAC3-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl-(2-methylpropyl)amino]propanoic acid
SMILESCc1nc(CCC(=O)N(CCC(=O)O)CC(C)C)oc1-c1ccccc1
InChIInChI=1S/C20H26N2O4/c1-14(2)13-22(12-11-19(24)25)18(23)10-9-17-21-15(3)20(26-17)16-7-5-4-6-8-16/h4-8,14H,9-13H2,1-3H3,(H,24,25)
InChIKeyQZDMUFAVKFUZRI-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.54
Rot. Bonds9

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

3-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl-(2-methylpropyl)amino]propanoic acid (PubChem CID 119190566) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl-(2-methylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl-(2-methylpropyl)amino]propanoic acid
PubChem CID119190566
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name3-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl-(2-methylpropyl)amino]propanoic acid
SMILESCc1nc(CCC(=O)N(CCC(=O)O)CC(C)C)oc1-c1ccccc1
InChIInChI=1S/C20H26N2O4/c1-14(2)13-22(12-11-19(24)25)18(23)10-9-17-21-15(3)20(26-17)16-7-5-4-6-8-16/h4-8,14H,9-13H2,1-3H3,(H,24,25)
InChIKeyQZDMUFAVKFUZRI-UHFFFAOYSA-N
XLogP3.54
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 120516514
N-ethyl-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide
CID 95287110
N-(2-aminoethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119383262
N-(3-amino-2-methylpropyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119996718
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119598473
3-[3-(3-methylphenyl)propanoyl-(2-methylpropyl)amino]propanoic acid
CID 119190391
3-[5-(3-methoxyphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid
CID 82090420
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119526054
3-[5-(3,4-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid
CID 82089801
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
CID 4614
N-(2-amino-1-cyclopropylethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide
CID 119614530
3-[4-methyl-5-(3-nitrophenyl)-1,3-oxazol-2-yl]propanoic acid
CID 43133305

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl-(2-methylpropyl)amino]propanoic acid?
The IUPAC name of 3-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl-(2-methylpropyl)amino]propanoic acid (CID 119190566) is 3-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl-(2-methylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl-(2-methylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl-(2-methylpropyl)amino]propanoic acid is Cc1nc(CCC(=O)N(CCC(=O)O)CC(C)C)oc1-c1ccccc1.
What is the InChIKey of 3-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl-(2-methylpropyl)amino]propanoic acid?
The InChIKey is QZDMUFAVKFUZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-14(2)13-22(12-11-19(24)25)18(23)10-9-17-21-15(3)20(26-17)16-7-5-4-6-8-16/h4-8,14H,9-13H2,1-3H3,(H,24,25).
What are the key properties of 3-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl-(2-methylpropyl)amino]propanoic acid?
3-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl-(2-methylpropyl)amino]propanoic acid has a molecular weight of 358.44 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl-(2-methylpropyl)amino]propanoic acid is sourced from PubChem (CID 119190566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).