5-(1,3-oxazol-2-yl)-3-(prop-2-enoxyamino)-3,6-dihydro-2H-pyridine-1-carboxylic acid

C12H15N3O4 — CID 122673560

IUPAC5-(1,3-oxazol-2-yl)-3-(prop-2-enoxyamino)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESC=CCONC1C=C(c2ncco2)CN(C(=O)O)C1
InChIInChI=1S/C12H15N3O4/c1-2-4-19-14-10-6-9(11-13-3-5-18-11)7-15(8-10)12(16)17/h2-3,5-6,10,14H,1,4,7-8H2,(H,16,17)
InChIKeyLNYGRAMEKDSNNG-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.13
Rot. Bonds5

About 5-(1,3-oxazol-2-yl)-3-(prop-2-enoxyamino)-3,6-dihydro-2H-pyridine-1-carboxylic acid

5-(1,3-oxazol-2-yl)-3-(prop-2-enoxyamino)-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 122673560) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5-(1,3-oxazol-2-yl)-3-(prop-2-enoxyamino)-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-(1,3-oxazol-2-yl)-3-(prop-2-enoxyamino)-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID122673560
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name5-(1,3-oxazol-2-yl)-3-(prop-2-enoxyamino)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESC=CCONC1C=C(c2ncco2)CN(C(=O)O)C1
InChIInChI=1S/C12H15N3O4/c1-2-4-19-14-10-6-9(11-13-3-5-18-11)7-15(8-10)12(16)17/h2-3,5-6,10,14H,1,4,7-8H2,(H,16,17)
InChIKeyLNYGRAMEKDSNNG-UHFFFAOYSA-N
XLogP1.13
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(1,3-oxazol-2-yl)-3-(prop-2-enoxyamino)-3,6-dihydro-2H-pyridine-1-carboxylic 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

2,2-difluoro-2-[[(5R)-3-(1,3-oxazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetic acid
CID 134392467
2,2-Difluoro-2-[[3-(1,3-oxazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetic acid
CID 135281018
2-(1,2,5,6-Tetrahydropyridin-3-yl)oxazole
CID 45091706
1-Methyl-3-(oxazol-2-yl)-1,2,5,6-tetrahydropyridine
CID 54089363
2-(1-hydroxy-3,6-dihydro-2H-pyridin-5-yl)-1,3-oxazole
CID 54520983
3-(Oxazol-2-yl)-1,2,5,6-tetrahydropyridine hydrochloride
CID 67925064
2-(6-Methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole
CID 70367641
[3-(1,3-Oxazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl] hydrogen sulfate
CID 122673393
3-bromo-5-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 122673394
5-(1,3-Oxazol-2-yl)-2-prop-2-enoxy-1,2,3,6-tetrahydropyridin-3-amine
CID 122673479
3-(1,3-Oxazol-2-yl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
CID 122673569
3-(1,3-Oxazol-2-yl)-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
CID 122673580

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-oxazol-2-yl)-3-(prop-2-enoxyamino)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 5-(1,3-oxazol-2-yl)-3-(prop-2-enoxyamino)-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 122673560) is 5-(1,3-oxazol-2-yl)-3-(prop-2-enoxyamino)-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 5-(1,3-oxazol-2-yl)-3-(prop-2-enoxyamino)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 5-(1,3-oxazol-2-yl)-3-(prop-2-enoxyamino)-3,6-dihydro-2H-pyridine-1-carboxylic acid is C=CCONC1C=C(c2ncco2)CN(C(=O)O)C1.
What is the InChIKey of 5-(1,3-oxazol-2-yl)-3-(prop-2-enoxyamino)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is LNYGRAMEKDSNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-2-4-19-14-10-6-9(11-13-3-5-18-11)7-15(8-10)12(16)17/h2-3,5-6,10,14H,1,4,7-8H2,(H,16,17).
What are the key properties of 5-(1,3-oxazol-2-yl)-3-(prop-2-enoxyamino)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
5-(1,3-oxazol-2-yl)-3-(prop-2-enoxyamino)-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-oxazol-2-yl)-3-(prop-2-enoxyamino)-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 122673560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).