N-[4-[[5-hydroxy-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylideneamino]phenyl]acetamide

C19H17N3O3 — CID 3242113

IUPACN-[4-[[5-hydroxy-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylideneamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C/c2nc(-c3ccc(C)cc3)oc2O)cc1
InChIInChI=1S/C19H17N3O3/c1-12-3-5-14(6-4-12)18-22-17(19(24)25-18)11-20-15-7-9-16(10-8-15)21-13(2)23/h3-11,24H,1-2H3,(H,21,23)/b20-11+
InChIKeyFYOFTVHQQBLAOR-RGVLZGJSSA-N
MW335.36 g/mol
LogP4.06
Rot. Bonds4

About N-[4-[[5-hydroxy-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylideneamino]phenyl]acetamide

N-[4-[[5-hydroxy-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylideneamino]phenyl]acetamide (PubChem CID 3242113) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[4-[[5-hydroxy-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylideneamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-hydroxy-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylideneamino]phenyl]acetamide
PubChem CID3242113
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-[4-[[5-hydroxy-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylideneamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C/c2nc(-c3ccc(C)cc3)oc2O)cc1
InChIInChI=1S/C19H17N3O3/c1-12-3-5-14(6-4-12)18-22-17(19(24)25-18)11-20-15-7-9-16(10-8-15)21-13(2)23/h3-11,24H,1-2H3,(H,21,23)/b20-11+
InChIKeyFYOFTVHQQBLAOR-RGVLZGJSSA-N
XLogP4.06
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-hydroxy-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylideneamino]phenyl]acetamide?
The IUPAC name of N-[4-[[5-hydroxy-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylideneamino]phenyl]acetamide (CID 3242113) is N-[4-[[5-hydroxy-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylideneamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-hydroxy-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylideneamino]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-hydroxy-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylideneamino]phenyl]acetamide is CC(=O)Nc1ccc(/N=C/c2nc(-c3ccc(C)cc3)oc2O)cc1.
What is the InChIKey of N-[4-[[5-hydroxy-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylideneamino]phenyl]acetamide?
The InChIKey is FYOFTVHQQBLAOR-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-12-3-5-14(6-4-12)18-22-17(19(24)25-18)11-20-15-7-9-16(10-8-15)21-13(2)23/h3-11,24H,1-2H3,(H,21,23)/b20-11+.
What are the key properties of N-[4-[[5-hydroxy-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylideneamino]phenyl]acetamide?
N-[4-[[5-hydroxy-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylideneamino]phenyl]acetamide has a molecular weight of 335.36 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-hydroxy-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylideneamino]phenyl]acetamide is sourced from PubChem (CID 3242113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).