2-[(E)-2-[4-[(2-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazol-5-yl]ethenyl]phenol

C19H15ClN2O2 — CID 135837272

IUPAC2-[(E)-2-[4-[(2-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazol-5-yl]ethenyl]phenol
SMILESCc1noc(/C=C/c2ccccc2O)c1/N=C/c1ccccc1Cl
InChIInChI=1S/C19H15ClN2O2/c1-13-19(21-12-15-7-2-4-8-16(15)20)18(24-22-13)11-10-14-6-3-5-9-17(14)23/h2-12,23H,1H3/b11-10+,21-12+
InChIKeyYWZSWKGDZVNGCI-CHBUXZQWSA-N
MW338.79 g/mol
LogP5.26
Rot. Bonds4

About 2-[(E)-2-[4-[(2-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazol-5-yl]ethenyl]phenol

2-[(E)-2-[4-[(2-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazol-5-yl]ethenyl]phenol (PubChem CID 135837272) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is 2-[(E)-2-[4-[(2-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazol-5-yl]ethenyl]phenol.

Molecular Properties

Compound Name2-[(E)-2-[4-[(2-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazol-5-yl]ethenyl]phenol
PubChem CID135837272
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC Name2-[(E)-2-[4-[(2-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazol-5-yl]ethenyl]phenol
SMILESCc1noc(/C=C/c2ccccc2O)c1/N=C/c1ccccc1Cl
InChIInChI=1S/C19H15ClN2O2/c1-13-19(21-12-15-7-2-4-8-16(15)20)18(24-22-13)11-10-14-6-3-5-9-17(14)23/h2-12,23H,1H3/b11-10+,21-12+
InChIKeyYWZSWKGDZVNGCI-CHBUXZQWSA-N
XLogP5.26
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.79
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(E)-2-[4-[(2-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazol-5-yl]ethenyl]phenol with MolForge

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Related Compounds

2-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]iminomethyl]phenol
CID 135837267
2-[(4-chloro-3-methylphenyl)iminomethyl]phenol
CID 135657353
3-[(E)-(2-chlorophenyl)methylideneamino]-5-methyl-[1,2]oxazolo[5,4-d]triazin-4-one
CID 11415051
2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol
CID 584429
2-[2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenol
CID 840164
2-[2-(2-chlorophenyl)ethenyl]pyridin-3-ol
CID 54048718
2-chloro-4-[(2-hydroxyphenyl)methylideneamino]-5-methylphenol
CID 135689629
2-[5-[(E)-(2-chlorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]phenol
CID 135439530
5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
CID 6179683
N-(5-chloro-2-methylphenyl)-1-(2-chlorophenyl)methanimine
CID 4191286
(E)-(2-chlorophenyl)methylidenehydrazine;ethane
CID 144988532
2-[(E)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]phenol
CID 136817331

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-[(2-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazol-5-yl]ethenyl]phenol?
The IUPAC name of 2-[(E)-2-[4-[(2-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazol-5-yl]ethenyl]phenol (CID 135837272) is 2-[(E)-2-[4-[(2-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazol-5-yl]ethenyl]phenol.
What is the SMILES notation for 2-[(E)-2-[4-[(2-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazol-5-yl]ethenyl]phenol?
The canonical SMILES for 2-[(E)-2-[4-[(2-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazol-5-yl]ethenyl]phenol is Cc1noc(/C=C/c2ccccc2O)c1/N=C/c1ccccc1Cl.
What is the InChIKey of 2-[(E)-2-[4-[(2-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazol-5-yl]ethenyl]phenol?
The InChIKey is YWZSWKGDZVNGCI-CHBUXZQWSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c1-13-19(21-12-15-7-2-4-8-16(15)20)18(24-22-13)11-10-14-6-3-5-9-17(14)23/h2-12,23H,1H3/b11-10+,21-12+.
What are the key properties of 2-[(E)-2-[4-[(2-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazol-5-yl]ethenyl]phenol?
2-[(E)-2-[4-[(2-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazol-5-yl]ethenyl]phenol has a molecular weight of 338.79 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-[(2-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazol-5-yl]ethenyl]phenol is sourced from PubChem (CID 135837272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).