5-[(2E)-2-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile

C19H20N4O3 — CID 45142563

IUPAC5-[(2E)-2-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile
SMILESC=CCOc1ccc(/C=N/Nc2oc(C(=C)C)nc2C#N)cc1OCC
InChIInChI=1S/C19H20N4O3/c1-5-9-25-16-8-7-14(10-17(16)24-6-2)12-21-23-19-15(11-20)22-18(26-19)13(3)4/h5,7-8,10,12,23H,1,3,6,9H2,2,4H3/b21-12+
InChIKeyCQSHOCLSAVNLDH-CIAFOILYSA-N
MW352.39 g/mol
LogP3.99
Rot. Bonds9

About 5-[(2E)-2-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile

5-[(2E)-2-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile (PubChem CID 45142563) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-[(2E)-2-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(2E)-2-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile
PubChem CID45142563
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name5-[(2E)-2-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile
SMILESC=CCOc1ccc(/C=N/Nc2oc(C(=C)C)nc2C#N)cc1OCC
InChIInChI=1S/C19H20N4O3/c1-5-9-25-16-8-7-14(10-17(16)24-6-2)12-21-23-19-15(11-20)22-18(26-19)13(3)4/h5,7-8,10,12,23H,1,3,6,9H2,2,4H3/b21-12+
InChIKeyCQSHOCLSAVNLDH-CIAFOILYSA-N
XLogP3.99
TPSA92.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[(2E)-2-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile
CID 45142615
5-[(2Z)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile
CID 34924747
2-pentan-3-yl-5-[2-[(4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
CID 4700416
5-[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-propan-2-yl-1,3-oxazole-4-carbonitrile
CID 6130106
N-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-phenylacetamide
CID 3983717
N-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579187
4-acetamido-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 5126030
4-ethoxy-N-[(E)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 17246424
5-[2-[(4-ethylphenyl)methylidene]hydrazinyl]-2-propan-2-yl-1,3-oxazole-4-carbonitrile
CID 4502080
2-N-[[3-ethoxy-4-(2-methylprop-2-enoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627055
N-[(3-bromophenyl)methyl]-N'-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 4148335
N'-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide
CID 4269018

Frequently Asked Questions

What is the IUPAC name of 5-[(2E)-2-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[(2E)-2-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile (CID 45142563) is 5-[(2E)-2-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[(2E)-2-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[(2E)-2-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile is C=CCOc1ccc(/C=N/Nc2oc(C(=C)C)nc2C#N)cc1OCC.
What is the InChIKey of 5-[(2E)-2-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is CQSHOCLSAVNLDH-CIAFOILYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-5-9-25-16-8-7-14(10-17(16)24-6-2)12-21-23-19-15(11-20)22-18(26-19)13(3)4/h5,7-8,10,12,23H,1,3,6,9H2,2,4H3/b21-12+.
What are the key properties of 5-[(2E)-2-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile?
5-[(2E)-2-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 352.39 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E)-2-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 45142563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).