2-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]iminomethyl]phenol

C19H16N2O2 — CID 135837267

IUPAC2-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]iminomethyl]phenol
SMILESCc1noc(/C=C/c2ccccc2)c1/N=C/c1ccccc1O
InChIInChI=1S/C19H16N2O2/c1-14-19(20-13-16-9-5-6-10-17(16)22)18(23-21-14)12-11-15-7-3-2-4-8-15/h2-13,22H,1H3/b12-11+,20-13+
InChIKeyRMGPVPAHNXBJFK-IUTFFREVSA-N
MW304.35 g/mol
LogP4.61
Rot. Bonds4

About 2-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]iminomethyl]phenol

2-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]iminomethyl]phenol (PubChem CID 135837267) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]iminomethyl]phenol
PubChem CID135837267
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name2-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]iminomethyl]phenol
SMILESCc1noc(/C=C/c2ccccc2)c1/N=C/c1ccccc1O
InChIInChI=1S/C19H16N2O2/c1-14-19(20-13-16-9-5-6-10-17(16)22)18(23-21-14)12-11-15-7-3-2-4-8-15/h2-13,22H,1H3/b12-11+,20-13+
InChIKeyRMGPVPAHNXBJFK-IUTFFREVSA-N
XLogP4.61
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-2-[4-[(2-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazol-5-yl]ethenyl]phenol
CID 135837272
2-[[4-(2-phenylethenyl)phenyl]iminomethyl]phenol
CID 3812353
2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol
CID 584429
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
2-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylic acid
CID 174908564
2-[(3,5-dimethylphenyl)iminomethyl]phenol
CID 4108135
copper;bis(2-[(4-methyl-2-pyridinyl)iminomethyl]phenol)
CID 137200643
2-(2-phenylethenyl)phenol;phosphoric acid
CID 67814298
ethane;2-(methyliminomethyl)phenol
CID 136650397
zinc 2-(methyliminomethyl)phenol
CID 135422153
3-[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]-5-phenyl-1,3,5-oxadiazinane-4-thione
CID 11474383
copper 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534570

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]iminomethyl]phenol?
The IUPAC name of 2-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]iminomethyl]phenol (CID 135837267) is 2-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]iminomethyl]phenol.
What is the SMILES notation for 2-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]iminomethyl]phenol?
The canonical SMILES for 2-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]iminomethyl]phenol is Cc1noc(/C=C/c2ccccc2)c1/N=C/c1ccccc1O.
What is the InChIKey of 2-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]iminomethyl]phenol?
The InChIKey is RMGPVPAHNXBJFK-IUTFFREVSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-14-19(20-13-16-9-5-6-10-17(16)22)18(23-21-14)12-11-15-7-3-2-4-8-15/h2-13,22H,1H3/b12-11+,20-13+.
What are the key properties of 2-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]iminomethyl]phenol?
2-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]iminomethyl]phenol has a molecular weight of 304.35 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]iminomethyl]phenol is sourced from PubChem (CID 135837267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).