3-methoxy-4-(1,3-oxazol-5-yl)-N-[(E)-pyridin-4-ylmethylideneamino]aniline

C16H14N4O2 — CID 142947868

IUPAC3-methoxy-4-(1,3-oxazol-5-yl)-N-[(E)-pyridin-4-ylmethylideneamino]aniline
SMILESCOc1cc(N/N=C/c2ccncc2)ccc1-c1cnco1
InChIInChI=1S/C16H14N4O2/c1-21-15-8-13(2-3-14(15)16-10-18-11-22-16)20-19-9-12-4-6-17-7-5-12/h2-11,20H,1H3/b19-9+
InChIKeyCQNIFXMYLRRBTM-DJKKODMXSA-N
MW294.31 g/mol
LogP3.19
Rot. Bonds5

About 3-methoxy-4-(1,3-oxazol-5-yl)-N-[(E)-pyridin-4-ylmethylideneamino]aniline

3-methoxy-4-(1,3-oxazol-5-yl)-N-[(E)-pyridin-4-ylmethylideneamino]aniline (PubChem CID 142947868) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-methoxy-4-(1,3-oxazol-5-yl)-N-[(E)-pyridin-4-ylmethylideneamino]aniline.

Molecular Properties

Compound Name3-methoxy-4-(1,3-oxazol-5-yl)-N-[(E)-pyridin-4-ylmethylideneamino]aniline
PubChem CID142947868
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name3-methoxy-4-(1,3-oxazol-5-yl)-N-[(E)-pyridin-4-ylmethylideneamino]aniline
SMILESCOc1cc(N/N=C/c2ccncc2)ccc1-c1cnco1
InChIInChI=1S/C16H14N4O2/c1-21-15-8-13(2-3-14(15)16-10-18-11-22-16)20-19-9-12-4-6-17-7-5-12/h2-11,20H,1H3/b19-9+
InChIKeyCQNIFXMYLRRBTM-DJKKODMXSA-N
XLogP3.19
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.19
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-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 67046782
(E)-2-fluoro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-phenylprop-2-enamide
CID 67047395
ethane;5-(2-methoxy-4-methylphenyl)-1,3-oxazole
CID 143041662
N'-[1-(2,2-dimethylpropanoylamino)-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766616
N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-(3-methylbutyl)oxamide
CID 20766963
3-methoxy-N-[(5-methylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 71736990
N-cyclobutyl-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766949
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-yl-1,3-oxazol-2-amine
CID 10125842
1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 12051287
3-hydroxy-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]naphthalene-2-carboxamide
CID 20604821
2-(ethylsulfinylamino)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide
CID 144773668
N-(1,3-dioxolan-2-ylmethyl)-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766594

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(1,3-oxazol-5-yl)-N-[(E)-pyridin-4-ylmethylideneamino]aniline?
The IUPAC name of 3-methoxy-4-(1,3-oxazol-5-yl)-N-[(E)-pyridin-4-ylmethylideneamino]aniline (CID 142947868) is 3-methoxy-4-(1,3-oxazol-5-yl)-N-[(E)-pyridin-4-ylmethylideneamino]aniline.
What is the SMILES notation for 3-methoxy-4-(1,3-oxazol-5-yl)-N-[(E)-pyridin-4-ylmethylideneamino]aniline?
The canonical SMILES for 3-methoxy-4-(1,3-oxazol-5-yl)-N-[(E)-pyridin-4-ylmethylideneamino]aniline is COc1cc(N/N=C/c2ccncc2)ccc1-c1cnco1.
What is the InChIKey of 3-methoxy-4-(1,3-oxazol-5-yl)-N-[(E)-pyridin-4-ylmethylideneamino]aniline?
The InChIKey is CQNIFXMYLRRBTM-DJKKODMXSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-21-15-8-13(2-3-14(15)16-10-18-11-22-16)20-19-9-12-4-6-17-7-5-12/h2-11,20H,1H3/b19-9+.
What are the key properties of 3-methoxy-4-(1,3-oxazol-5-yl)-N-[(E)-pyridin-4-ylmethylideneamino]aniline?
3-methoxy-4-(1,3-oxazol-5-yl)-N-[(E)-pyridin-4-ylmethylideneamino]aniline has a molecular weight of 294.31 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(1,3-oxazol-5-yl)-N-[(E)-pyridin-4-ylmethylideneamino]aniline is sourced from PubChem (CID 142947868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).