N'-[4-cyano-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]-N,N-dimethylmethanimidamide

C15H14N4O — CID 117061761

IUPACN'-[4-cyano-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1oc(/C=C/c2ccccc2)nc1C#N
InChIInChI=1S/C15H14N4O/c1-19(2)11-17-15-13(10-16)18-14(20-15)9-8-12-6-4-3-5-7-12/h3-9,11H,1-2H3/b9-8+,17-11+
InChIKeyRUWMYHLZEYVUJB-WRFVMNGSSA-N
MW266.30 g/mol
LogP2.94
Rot. Bonds4

About N'-[4-cyano-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]-N,N-dimethylmethanimidamide

N'-[4-cyano-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]-N,N-dimethylmethanimidamide (PubChem CID 117061761) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N'-[4-cyano-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[4-cyano-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]-N,N-dimethylmethanimidamide
PubChem CID117061761
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN'-[4-cyano-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1oc(/C=C/c2ccccc2)nc1C#N
InChIInChI=1S/C15H14N4O/c1-19(2)11-17-15-13(10-16)18-14(20-15)9-8-12-6-4-3-5-7-12/h3-9,11H,1-2H3/b9-8+,17-11+
InChIKeyRUWMYHLZEYVUJB-WRFVMNGSSA-N
XLogP2.94
TPSA65.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-(3,5-dimethylpiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile
CID 2963495
5-(4-methylpiperidin-1-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
CID 18822627
5-morpholin-4-yl-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile
CID 2963497
5-[(4-chlorophenyl)methylamino]-2-[(Z)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
CID 98385823
N'-(6-chloro-2-cyano-3-pyridinyl)-N,N-dimethylmethanimidamide
CID 156505096
N'-(3-cyano-5-methyl-6-phenylpyrazin-2-yl)-N,N-dimethylmethanimidamide
CID 23990833
5-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 139582229
5-(benzylamino)-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 6200328
5-(3-hydroxypiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile
CID 171131350
[5-(dimethylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]-triphenylphosphanium;hydroiodide
CID 126957819
N,N-dimethylmethanamine;stilbene
CID 174368184
5-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
CID 171686389

Frequently Asked Questions

What is the IUPAC name of N'-[4-cyano-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[4-cyano-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]-N,N-dimethylmethanimidamide (CID 117061761) is N'-[4-cyano-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[4-cyano-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[4-cyano-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]-N,N-dimethylmethanimidamide is CN(C)/C=N/c1oc(/C=C/c2ccccc2)nc1C#N.
What is the InChIKey of N'-[4-cyano-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]-N,N-dimethylmethanimidamide?
The InChIKey is RUWMYHLZEYVUJB-WRFVMNGSSA-N. The full InChI is InChI=1S/C15H14N4O/c1-19(2)11-17-15-13(10-16)18-14(20-15)9-8-12-6-4-3-5-7-12/h3-9,11H,1-2H3/b9-8+,17-11+.
What are the key properties of N'-[4-cyano-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]-N,N-dimethylmethanimidamide?
N'-[4-cyano-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]-N,N-dimethylmethanimidamide has a molecular weight of 266.30 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-cyano-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 117061761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).