3-[(5-methyl-1,2-oxazol-3-yl)-(pyridine-4-carbonyl)amino]propanoic acid

C13H13N3O4 — CID 82321721

IUPAC3-[(5-methyl-1,2-oxazol-3-yl)-(pyridine-4-carbonyl)amino]propanoic acid
SMILESCc1cc(N(CCC(=O)O)C(=O)c2ccncc2)no1
InChIInChI=1S/C13H13N3O4/c1-9-8-11(15-20-9)16(7-4-12(17)18)13(19)10-2-5-14-6-3-10/h2-3,5-6,8H,4,7H2,1H3,(H,17,18)
InChIKeyIJVBVRZRZYEIGU-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.50
Rot. Bonds5

About 3-[(5-methyl-1,2-oxazol-3-yl)-(pyridine-4-carbonyl)amino]propanoic acid

3-[(5-methyl-1,2-oxazol-3-yl)-(pyridine-4-carbonyl)amino]propanoic acid (PubChem CID 82321721) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 3-[(5-methyl-1,2-oxazol-3-yl)-(pyridine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(5-methyl-1,2-oxazol-3-yl)-(pyridine-4-carbonyl)amino]propanoic acid
PubChem CID82321721
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name3-[(5-methyl-1,2-oxazol-3-yl)-(pyridine-4-carbonyl)amino]propanoic acid
SMILESCc1cc(N(CCC(=O)O)C(=O)c2ccncc2)no1
InChIInChI=1S/C13H13N3O4/c1-9-8-11(15-20-9)16(7-4-12(17)18)13(19)10-2-5-14-6-3-10/h2-3,5-6,8H,4,7H2,1H3,(H,17,18)
InChIKeyIJVBVRZRZYEIGU-UHFFFAOYSA-N
XLogP1.50
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-methyl-1,2-oxazol-3-yl)-pentanoylamino]propanoic acid
CID 82320899
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-benzylpropanamide
CID 113135674
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-acetylphenyl)propanamide
CID 113135793
3-[2-fluoro-N-(pyridine-4-carbonyl)anilino]propanoic acid
CID 82321705
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113135846
3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 20586201
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-acetylphenyl)propanamide
CID 113135794
3-[[2-carboxyethyl-(5-methyl-1,2-oxazol-3-yl)amino]methyl]benzoic acid
CID 82317521
3-[(2-fluorophenyl)methyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoic acid
CID 82317464
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-bromo-4-methylphenyl)propanamide
CID 113135778
N-[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]ethyl]-4-tert-butylbenzamide
CID 113064726
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113135819

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)-(pyridine-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)-(pyridine-4-carbonyl)amino]propanoic acid (CID 82321721) is 3-[(5-methyl-1,2-oxazol-3-yl)-(pyridine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(5-methyl-1,2-oxazol-3-yl)-(pyridine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(5-methyl-1,2-oxazol-3-yl)-(pyridine-4-carbonyl)amino]propanoic acid is Cc1cc(N(CCC(=O)O)C(=O)c2ccncc2)no1.
What is the InChIKey of 3-[(5-methyl-1,2-oxazol-3-yl)-(pyridine-4-carbonyl)amino]propanoic acid?
The InChIKey is IJVBVRZRZYEIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-9-8-11(15-20-9)16(7-4-12(17)18)13(19)10-2-5-14-6-3-10/h2-3,5-6,8H,4,7H2,1H3,(H,17,18).
What are the key properties of 3-[(5-methyl-1,2-oxazol-3-yl)-(pyridine-4-carbonyl)amino]propanoic acid?
3-[(5-methyl-1,2-oxazol-3-yl)-(pyridine-4-carbonyl)amino]propanoic acid has a molecular weight of 275.26 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,2-oxazol-3-yl)-(pyridine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 82321721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).