5-ethoxy-N-(pyridin-4-ylmethylideneamino)-1,3-oxazole-2-carboxamide

C12H12N4O3 — CID 4622660

IUPAC5-ethoxy-N-(pyridin-4-ylmethylideneamino)-1,3-oxazole-2-carboxamide
SMILESCCOc1cnc(C(=O)NN=Cc2ccncc2)o1
InChIInChI=1S/C12H12N4O3/c1-2-18-10-8-14-12(19-10)11(17)16-15-7-9-3-5-13-6-4-9/h3-8H,2H2,1H3,(H,16,17)
InChIKeyFTXKHOCGCNVNAY-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.23
Rot. Bonds5

About 5-ethoxy-N-(pyridin-4-ylmethylideneamino)-1,3-oxazole-2-carboxamide

5-ethoxy-N-(pyridin-4-ylmethylideneamino)-1,3-oxazole-2-carboxamide (PubChem CID 4622660) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 5-ethoxy-N-(pyridin-4-ylmethylideneamino)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-N-(pyridin-4-ylmethylideneamino)-1,3-oxazole-2-carboxamide
PubChem CID4622660
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name5-ethoxy-N-(pyridin-4-ylmethylideneamino)-1,3-oxazole-2-carboxamide
SMILESCCOc1cnc(C(=O)NN=Cc2ccncc2)o1
InChIInChI=1S/C12H12N4O3/c1-2-18-10-8-14-12(19-10)11(17)16-15-7-9-3-5-13-6-4-9/h3-8H,2H2,1H3,(H,16,17)
InChIKeyFTXKHOCGCNVNAY-UHFFFAOYSA-N
XLogP1.23
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(Z)-(2-bromo-5-ethoxyphenyl)methylideneamino]-5-ethoxy-1,3-oxazole-2-carboxamide
CID 6024173
5-ethoxy-N-[(4-oxochromen-3-yl)methylideneamino]-1,3-oxazole-2-carboxamide
CID 3269329
ethyl N-[(E)-pyridin-4-ylmethylideneamino]carbamate
CID 5365476
N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
CID 29172527
N-[(4-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 760521
5-methyl-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 3699372
4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 5393857
1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea
CID 54600785
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 135538343
4-N,6-N-bis(pyridin-4-ylmethylideneamino)pyrimidine-4,6-dicarboxamide
CID 158525802
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
3-(4-ethoxyphenyl)-4-methyl-N-(pyridin-4-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 950350

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-(pyridin-4-ylmethylideneamino)-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-ethoxy-N-(pyridin-4-ylmethylideneamino)-1,3-oxazole-2-carboxamide (CID 4622660) is 5-ethoxy-N-(pyridin-4-ylmethylideneamino)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-ethoxy-N-(pyridin-4-ylmethylideneamino)-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-ethoxy-N-(pyridin-4-ylmethylideneamino)-1,3-oxazole-2-carboxamide is CCOc1cnc(C(=O)NN=Cc2ccncc2)o1.
What is the InChIKey of 5-ethoxy-N-(pyridin-4-ylmethylideneamino)-1,3-oxazole-2-carboxamide?
The InChIKey is FTXKHOCGCNVNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-2-18-10-8-14-12(19-10)11(17)16-15-7-9-3-5-13-6-4-9/h3-8H,2H2,1H3,(H,16,17).
What are the key properties of 5-ethoxy-N-(pyridin-4-ylmethylideneamino)-1,3-oxazole-2-carboxamide?
5-ethoxy-N-(pyridin-4-ylmethylideneamino)-1,3-oxazole-2-carboxamide has a molecular weight of 260.25 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-(pyridin-4-ylmethylideneamino)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 4622660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).