5-(1,3-oxazol-2-yl)-N-prop-2-enoxy-3,6-dihydro-2H-pyridine-1-carboxamide

C12H15N3O3 — CID 134388576

IUPAC5-(1,3-oxazol-2-yl)-N-prop-2-enoxy-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESC=CCONC(=O)N1CCC=C(c2ncco2)C1
InChIInChI=1S/C12H15N3O3/c1-2-7-18-14-12(16)15-6-3-4-10(9-15)11-13-5-8-17-11/h2,4-5,8H,1,3,6-7,9H2,(H,14,16)
InChIKeyMVCYIECVNKVKQY-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.59
Rot. Bonds4

About 5-(1,3-oxazol-2-yl)-N-prop-2-enoxy-3,6-dihydro-2H-pyridine-1-carboxamide

5-(1,3-oxazol-2-yl)-N-prop-2-enoxy-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 134388576) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-(1,3-oxazol-2-yl)-N-prop-2-enoxy-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name5-(1,3-oxazol-2-yl)-N-prop-2-enoxy-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID134388576
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name5-(1,3-oxazol-2-yl)-N-prop-2-enoxy-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESC=CCONC(=O)N1CCC=C(c2ncco2)C1
InChIInChI=1S/C12H15N3O3/c1-2-7-18-14-12(16)15-6-3-4-10(9-15)11-13-5-8-17-11/h2,4-5,8H,1,3,6-7,9H2,(H,14,16)
InChIKeyMVCYIECVNKVKQY-UHFFFAOYSA-N
XLogP1.59
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-oxazol-2-yl)-N-prop-2-enoxy-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 5-(1,3-oxazol-2-yl)-N-prop-2-enoxy-3,6-dihydro-2H-pyridine-1-carboxamide (CID 134388576) is 5-(1,3-oxazol-2-yl)-N-prop-2-enoxy-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 5-(1,3-oxazol-2-yl)-N-prop-2-enoxy-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 5-(1,3-oxazol-2-yl)-N-prop-2-enoxy-3,6-dihydro-2H-pyridine-1-carboxamide is C=CCONC(=O)N1CCC=C(c2ncco2)C1.
What is the InChIKey of 5-(1,3-oxazol-2-yl)-N-prop-2-enoxy-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is MVCYIECVNKVKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-2-7-18-14-12(16)15-6-3-4-10(9-15)11-13-5-8-17-11/h2,4-5,8H,1,3,6-7,9H2,(H,14,16).
What are the key properties of 5-(1,3-oxazol-2-yl)-N-prop-2-enoxy-3,6-dihydro-2H-pyridine-1-carboxamide?
5-(1,3-oxazol-2-yl)-N-prop-2-enoxy-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-oxazol-2-yl)-N-prop-2-enoxy-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 134388576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).