5-ethoxy-N-[(4-oxochromen-3-yl)methylideneamino]-1,3-oxazole-2-carboxamide

C16H13N3O5 — CID 3269329

IUPAC5-ethoxy-N-[(4-oxochromen-3-yl)methylideneamino]-1,3-oxazole-2-carboxamide
SMILESCCOc1cnc(C(=O)NN=Cc2coc3ccccc3c2=O)o1
InChIInChI=1S/C16H13N3O5/c1-2-22-13-8-17-16(24-13)15(21)19-18-7-10-9-23-12-6-4-3-5-11(12)14(10)20/h3-9H,2H2,1H3,(H,19,21)
InChIKeyGWGQKXVBOHZPTK-UHFFFAOYSA-N
MW327.30 g/mol
LogP1.94
Rot. Bonds5

About 5-ethoxy-N-[(4-oxochromen-3-yl)methylideneamino]-1,3-oxazole-2-carboxamide

5-ethoxy-N-[(4-oxochromen-3-yl)methylideneamino]-1,3-oxazole-2-carboxamide (PubChem CID 3269329) has the molecular formula C16H13N3O5 and a molecular weight of 327.30 g/mol. Its IUPAC name is 5-ethoxy-N-[(4-oxochromen-3-yl)methylideneamino]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-N-[(4-oxochromen-3-yl)methylideneamino]-1,3-oxazole-2-carboxamide
PubChem CID3269329
Molecular FormulaC16H13N3O5
Molecular Weight327.30 g/mol
Exact Mass327.09
IUPAC Name5-ethoxy-N-[(4-oxochromen-3-yl)methylideneamino]-1,3-oxazole-2-carboxamide
SMILESCCOc1cnc(C(=O)NN=Cc2coc3ccccc3c2=O)o1
InChIInChI=1S/C16H13N3O5/c1-2-22-13-8-17-16(24-13)15(21)19-18-7-10-9-23-12-6-4-3-5-11(12)14(10)20/h3-9H,2H2,1H3,(H,19,21)
InChIKeyGWGQKXVBOHZPTK-UHFFFAOYSA-N
XLogP1.94
TPSA106.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-2-carboxamide
CID 177472748
N-[(4-oxochromen-3-yl)methylideneamino]isoquinoline-1-carboxamide
CID 175293319
N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-3-propoxybenzamide
CID 26871479
N-[(Z)-(2-bromo-5-ethoxyphenyl)methylideneamino]-5-ethoxy-1,3-oxazole-2-carboxamide
CID 6024173
5-ethoxy-N-(pyridin-4-ylmethylideneamino)-1,3-oxazole-2-carboxamide
CID 4622660
[(Z)-(4-oxochromen-3-yl)methylideneamino]urea
CID 5395362
2-bromo-N-[(4-oxochromen-3-yl)methylideneamino]benzamide
CID 999899
4-[(4-methylphenyl)methoxy]-N-[(4-oxochromen-3-yl)methylideneamino]benzamide
CID 91944841
2-[(4-chlorophenyl)methoxy]-N-[(4-oxochromen-3-yl)methylideneamino]benzamide
CID 91944962
N-(4-methoxyphenyl)-N'-[(E)-(4-oxochromen-3-yl)methylideneamino]oxamide
CID 51060763
4-[(E)-4-hydroxy-3-oxobut-1-enyl]-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide
CID 172931261
3-nitro-N-[(4-oxochromen-3-yl)methylideneamino]benzamide
CID 1085155

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-[(4-oxochromen-3-yl)methylideneamino]-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-ethoxy-N-[(4-oxochromen-3-yl)methylideneamino]-1,3-oxazole-2-carboxamide (CID 3269329) is 5-ethoxy-N-[(4-oxochromen-3-yl)methylideneamino]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-ethoxy-N-[(4-oxochromen-3-yl)methylideneamino]-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-ethoxy-N-[(4-oxochromen-3-yl)methylideneamino]-1,3-oxazole-2-carboxamide is CCOc1cnc(C(=O)NN=Cc2coc3ccccc3c2=O)o1.
What is the InChIKey of 5-ethoxy-N-[(4-oxochromen-3-yl)methylideneamino]-1,3-oxazole-2-carboxamide?
The InChIKey is GWGQKXVBOHZPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O5/c1-2-22-13-8-17-16(24-13)15(21)19-18-7-10-9-23-12-6-4-3-5-11(12)14(10)20/h3-9H,2H2,1H3,(H,19,21).
What are the key properties of 5-ethoxy-N-[(4-oxochromen-3-yl)methylideneamino]-1,3-oxazole-2-carboxamide?
5-ethoxy-N-[(4-oxochromen-3-yl)methylideneamino]-1,3-oxazole-2-carboxamide has a molecular weight of 327.30 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-[(4-oxochromen-3-yl)methylideneamino]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 3269329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).