3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methyl-2-phenylpropanoic acid

C18H22N2O4 — CID 120701579

IUPAC3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methyl-2-phenylpropanoic acid
SMILESCc1noc(C)c1CCC(=O)NCC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C18H22N2O4/c1-12-15(13(2)24-20-12)9-10-16(21)19-11-18(3,17(22)23)14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3,(H,19,21)(H,22,23)
InChIKeyGJUQXARARKRWRQ-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.38
Rot. Bonds7

About 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methyl-2-phenylpropanoic acid

3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methyl-2-phenylpropanoic acid (PubChem CID 120701579) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methyl-2-phenylpropanoic acid
PubChem CID120701579
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methyl-2-phenylpropanoic acid
SMILESCc1noc(C)c1CCC(=O)NCC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C18H22N2O4/c1-12-15(13(2)24-20-12)9-10-16(21)19-11-18(3,17(22)23)14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3,(H,19,21)(H,22,23)
InChIKeyGJUQXARARKRWRQ-UHFFFAOYSA-N
XLogP2.38
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide
CID 111481535
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide
CID 110908981
2-methyl-3-(3-methylsulfanylpropanoylamino)-2-phenylpropanoic acid
CID 120701360
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110650465
N-[2-(4-tert-butylphenoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 31974696
2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]phenyl]acetic acid
CID 119218412
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-pyridin-2-ylsulfanylethyl)propanamide
CID 74236898
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-nitrophenyl)methyl]propanamide
CID 87004960
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 86908068
3-acetamido-2-methyl-2-phenylpropanoic acid
CID 120701382
4-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-oxopropyl]benzoic acid
CID 119182646
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009413

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methyl-2-phenylpropanoic acid?
The IUPAC name of 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methyl-2-phenylpropanoic acid (CID 120701579) is 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methyl-2-phenylpropanoic acid is Cc1noc(C)c1CCC(=O)NCC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methyl-2-phenylpropanoic acid?
The InChIKey is GJUQXARARKRWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12-15(13(2)24-20-12)9-10-16(21)19-11-18(3,17(22)23)14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3,(H,19,21)(H,22,23).
What are the key properties of 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methyl-2-phenylpropanoic acid?
3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methyl-2-phenylpropanoic acid has a molecular weight of 330.38 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 120701579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).