2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-oxazole-5-carboxamide

C20H18ClN3O3 — CID 136961096

IUPAC2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1cc(C=NNC(=O)c2oc(-c3ccc(Cl)cc3)nc2C)cc(C)c1O
InChIInChI=1S/C20H18ClN3O3/c1-11-8-14(9-12(2)17(11)25)10-22-24-19(26)18-13(3)23-20(27-18)15-4-6-16(21)7-5-15/h4-10,25H,1-3H3,(H,24,26)
InChIKeySDTVFVSJCDZXFS-UHFFFAOYSA-N
MW383.84 g/mol
LogP4.39
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-oxazole-5-carboxamide

2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 136961096) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID136961096
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1cc(C=NNC(=O)c2oc(-c3ccc(Cl)cc3)nc2C)cc(C)c1O
InChIInChI=1S/C20H18ClN3O3/c1-11-8-14(9-12(2)17(11)25)10-22-24-19(26)18-13(3)23-20(27-18)15-4-6-16(21)7-5-15/h4-10,25H,1-3H3,(H,24,26)
InChIKeySDTVFVSJCDZXFS-UHFFFAOYSA-N
XLogP4.39
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 137021928
4-methyl-N-[(4-methylphenyl)methylideneamino]-2-phenyl-1,3-oxazole-5-carboxamide
CID 70622767
2-chloro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 4002314
N-(5-chloro-2-fluorophenyl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide
CID 71871784
2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]quinoline-4-carboxamide
CID 136658791
[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea
CID 136727835
N-[(E)-1-benzofuran-5-ylmethylideneamino]-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 89469461
N-[(Z)-(4-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 6188173
3-(2-chloro-4-methylphenyl)-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 137296429
4-chloro-N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]benzamide
CID 136767804
3-fluoro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 4031826
4-chloro-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 899702

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-oxazole-5-carboxamide (CID 136961096) is 2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-oxazole-5-carboxamide is Cc1cc(C=NNC(=O)c2oc(-c3ccc(Cl)cc3)nc2C)cc(C)c1O.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is SDTVFVSJCDZXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-11-8-14(9-12(2)17(11)25)10-22-24-19(26)18-13(3)23-20(27-18)15-4-6-16(21)7-5-15/h4-10,25H,1-3H3,(H,24,26).
What are the key properties of 2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-oxazole-5-carboxamide?
2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 136961096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).