4-[(2-chlorophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol

C17H13ClN2O2 — CID 4247751

IUPAC4-[(2-chlorophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol
SMILESCc1ccc(-c2nc(/C=N/c3ccccc3Cl)c(O)o2)cc1
InChIInChI=1S/C17H13ClN2O2/c1-11-6-8-12(9-7-11)16-20-15(17(21)22-16)10-19-14-5-3-2-4-13(14)18/h2-10,21H,1H3/b19-10+
InChIKeyRQFXWITVZZONBC-VXLYETTFSA-N
MW312.76 g/mol
LogP4.76
Rot. Bonds3

About 4-[(2-chlorophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol

4-[(2-chlorophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol (PubChem CID 4247751) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol.

Molecular Properties

Compound Name4-[(2-chlorophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol
PubChem CID4247751
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name4-[(2-chlorophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol
SMILESCc1ccc(-c2nc(/C=N/c3ccccc3Cl)c(O)o2)cc1
InChIInChI=1S/C17H13ClN2O2/c1-11-6-8-12(9-7-11)16-20-15(17(21)22-16)10-19-14-5-3-2-4-13(14)18/h2-10,21H,1H3/b19-10+
InChIKeyRQFXWITVZZONBC-VXLYETTFSA-N
XLogP4.76
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.76
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

5(4H)-Oxazolone, 2-phenyl-4-[(phenylamino)methylene]-
CID 570245
(4E)-4-(anilinomethylene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one
CID 5050603
4-[(methylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one
CID 571092
(4Z)-4-[[4-(dimethylamino)anilino]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 627902
5(4H)-Oxazolone, 2-phenyl-4-[[(phenylmethyl)amino]methylene]-, (4E)-
CID 3119112
4-{[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]amino}butanoic acid
CID 135431471
(4Z)-4-[(2-methylsulfanylanilino)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 870167
[2-Phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-yl] acetate
CID 915860
Acetic acid 4-{[(E)-4-dimethylamino-phenylimino]-methyl}-2-phenyl-oxazol-5-yl ester
CID 917267
4-Methyl-benzoic acid 4-{[(E)-4-dimethylamino-phenylimino]-methyl}-2-phenyl-oxazol-5-yl ester
CID 1559125
4-({[4-(Dimethylamino)phenyl]imino}methyl)-2-phenyl-1,3-oxazol-5-YL 3-chlorobenzoate
CID 1905917
N-[4-({(E)-[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}amino)phenyl]acetamide
CID 3242113

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol?
The IUPAC name of 4-[(2-chlorophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol (CID 4247751) is 4-[(2-chlorophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol.
What is the SMILES notation for 4-[(2-chlorophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol?
The canonical SMILES for 4-[(2-chlorophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol is Cc1ccc(-c2nc(/C=N/c3ccccc3Cl)c(O)o2)cc1.
What is the InChIKey of 4-[(2-chlorophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol?
The InChIKey is RQFXWITVZZONBC-VXLYETTFSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-11-6-8-12(9-7-11)16-20-15(17(21)22-16)10-19-14-5-3-2-4-13(14)18/h2-10,21H,1H3/b19-10+.
What are the key properties of 4-[(2-chlorophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol?
4-[(2-chlorophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol has a molecular weight of 312.76 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol is sourced from PubChem (CID 4247751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).