N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C20H19N3O4 — CID 6897246

IUPACN-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)c1OC
InChIInChI=1S/C20H19N3O4/c1-13-17(18(23-27-13)14-8-5-4-6-9-14)20(24)22-21-12-15-10-7-11-16(25-2)19(15)26-3/h4-12H,1-3H3,(H,22,24)/b21-12+
InChIKeyGEZHNKYTFSNUMH-CIAFOILYSA-N
MW365.39 g/mol
LogP3.43
Rot. Bonds6

About N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 6897246) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID6897246
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)c1OC
InChIInChI=1S/C20H19N3O4/c1-13-17(18(23-27-13)14-8-5-4-6-9-14)20(24)22-21-12-15-10-7-11-16(25-2)19(15)26-3/h4-12H,1-3H3,(H,22,24)/b21-12+
InChIKeyGEZHNKYTFSNUMH-CIAFOILYSA-N
XLogP3.43
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 6897246) is N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is COc1cccc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)c1OC.
What is the InChIKey of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is GEZHNKYTFSNUMH-CIAFOILYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-13-17(18(23-27-13)14-8-5-4-6-9-14)20(24)22-21-12-15-10-7-11-16(25-2)19(15)26-3/h4-12H,1-3H3,(H,22,24)/b21-12+.
What are the key properties of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 6897246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).