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

C19H17N3O3 — CID 6877462

IUPACN-[(E)-(3-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)c1
InChIInChI=1S/C19H17N3O3/c1-13-17(18(22-25-13)15-8-4-3-5-9-15)19(23)21-20-12-14-7-6-10-16(11-14)24-2/h3-12H,1-2H3,(H,21,23)/b20-12+
InChIKeyWFCSDKNWLUOBNF-UDWIEESQSA-N
MW335.36 g/mol
LogP3.42
Rot. Bonds5

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

N-[(E)-(3-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 6877462) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[(E)-(3-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID6877462
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-[(E)-(3-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)c1
InChIInChI=1S/C19H17N3O3/c1-13-17(18(22-25-13)15-8-4-3-5-9-15)19(23)21-20-12-14-7-6-10-16(11-14)24-2/h3-12H,1-2H3,(H,21,23)/b20-12+
InChIKeyWFCSDKNWLUOBNF-UDWIEESQSA-N
XLogP3.42
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-(3-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(E)-(3-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 6877462) is N-[(E)-(3-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(E)-(3-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(E)-(3-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is COc1cccc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)c1.
What is the InChIKey of N-[(E)-(3-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is WFCSDKNWLUOBNF-UDWIEESQSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-13-17(18(22-25-13)15-8-4-3-5-9-15)19(23)21-20-12-14-7-6-10-16(11-14)24-2/h3-12H,1-2H3,(H,21,23)/b20-12+.
What are the key properties of N-[(E)-(3-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[(E)-(3-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 6877462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).