5-[(2Z)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile

C22H20N4O3 — CID 34924747

IUPAC5-[(2Z)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile
SMILESC=C(C)c1nc(C#N)c(N/N=C\c2ccc(OCc3ccccc3)c(OC)c2)o1
InChIInChI=1S/C22H20N4O3/c1-15(2)21-25-18(12-23)22(29-21)26-24-13-17-9-10-19(20(11-17)27-3)28-14-16-7-5-4-6-8-16/h4-11,13,26H,1,14H2,2-3H3/b24-13-
InChIKeyLRXGTQLGUOOCCF-CFRMEGHHSA-N
MW388.43 g/mol
LogP4.61
Rot. Bonds8

About 5-[(2Z)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile

5-[(2Z)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile (PubChem CID 34924747) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 5-[(2Z)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(2Z)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile
PubChem CID34924747
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name5-[(2Z)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile
SMILESC=C(C)c1nc(C#N)c(N/N=C\c2ccc(OCc3ccccc3)c(OC)c2)o1
InChIInChI=1S/C22H20N4O3/c1-15(2)21-25-18(12-23)22(29-21)26-24-13-17-9-10-19(20(11-17)27-3)28-14-16-7-5-4-6-8-16/h4-11,13,26H,1,14H2,2-3H3/b24-13-
InChIKeyLRXGTQLGUOOCCF-CFRMEGHHSA-N
XLogP4.61
TPSA92.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.61
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

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-[(2E)-2-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile
CID 45142563
5-[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-propan-2-yl-1,3-oxazole-4-carbonitrile
CID 6130106
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 3117869
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
CID 5008756
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-methylaniline
CID 5084766
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 3627606
4-fluoro-N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]aniline
CID 110840797
N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110340184
ethyl N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamate
CID 6902439
2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetonitrile
CID 6054346
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-phenylacetamide
CID 3561561

Frequently Asked Questions

What is the IUPAC name of 5-[(2Z)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[(2Z)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile (CID 34924747) is 5-[(2Z)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[(2Z)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[(2Z)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile is C=C(C)c1nc(C#N)c(N/N=C\c2ccc(OCc3ccccc3)c(OC)c2)o1.
What is the InChIKey of 5-[(2Z)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is LRXGTQLGUOOCCF-CFRMEGHHSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-15(2)21-25-18(12-23)22(29-21)26-24-13-17-9-10-19(20(11-17)27-3)28-14-16-7-5-4-6-8-16/h4-11,13,26H,1,14H2,2-3H3/b24-13-.
What are the key properties of 5-[(2Z)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile?
5-[(2Z)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 388.43 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 34924747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).