2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-pyridin-4-ylpropanoic acid

C15H17N3O4 — CID 146135264

IUPAC2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-pyridin-4-ylpropanoic acid
SMILESCc1noc(C)c1CC(=O)NC(Cc1ccncc1)C(=O)O
InChIInChI=1S/C15H17N3O4/c1-9-12(10(2)22-18-9)8-14(19)17-13(15(20)21)7-11-3-5-16-6-4-11/h3-6,13H,7-8H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyJDEIJOAFXICFBU-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.04
Rot. Bonds6

About 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-pyridin-4-ylpropanoic acid

2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-pyridin-4-ylpropanoic acid (PubChem CID 146135264) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-pyridin-4-ylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-pyridin-4-ylpropanoic acid
PubChem CID146135264
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-pyridin-4-ylpropanoic acid
SMILESCc1noc(C)c1CC(=O)NC(Cc1ccncc1)C(=O)O
InChIInChI=1S/C15H17N3O4/c1-9-12(10(2)22-18-9)8-14(19)17-13(15(20)21)7-11-3-5-16-6-4-11/h3-6,13H,7-8H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyJDEIJOAFXICFBU-UHFFFAOYSA-N
XLogP1.04
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-pyridin-4-ylpropanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylpentanoic acid
CID 78975585
3-phenyl-2-[(2-pyridin-4-ylacetyl)amino]propanoic acid
CID 16785065
(2S)-5-amino-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-5-oxopentanoic acid
CID 61145159
methyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-phenylpropanoate
CID 51072879
(2S,3S)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-methylpentanoic acid
CID 61136424
(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-pyridin-4-ylpropanoic acid
CID 91438013
N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 40812290
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 40633985
2-[[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]-3-(4-ethoxyphenyl)propanoic acid
CID 119232019
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135105074
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18194355
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-phenylbutyl)acetamide
CID 43027703

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-pyridin-4-ylpropanoic acid?
The IUPAC name of 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-pyridin-4-ylpropanoic acid (CID 146135264) is 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-pyridin-4-ylpropanoic acid.
What is the SMILES notation for 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-pyridin-4-ylpropanoic acid?
The canonical SMILES for 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-pyridin-4-ylpropanoic acid is Cc1noc(C)c1CC(=O)NC(Cc1ccncc1)C(=O)O.
What is the InChIKey of 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-pyridin-4-ylpropanoic acid?
The InChIKey is JDEIJOAFXICFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-9-12(10(2)22-18-9)8-14(19)17-13(15(20)21)7-11-3-5-16-6-4-11/h3-6,13H,7-8H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-pyridin-4-ylpropanoic acid?
2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-pyridin-4-ylpropanoic acid has a molecular weight of 303.32 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 146135264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).