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

C22H24N4O2 — CID 46497554

IUPACN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C22H24N4O2/c1-4-26(5-2)19-13-11-17(12-14-19)15-23-24-22(27)20-16(3)28-25-21(20)18-9-7-6-8-10-18/h6-15H,4-5H2,1-3H3,(H,24,27)/b23-15+
InChIKeyDMRFMQUSNOVOIX-HZHRSRAPSA-N
MW376.46 g/mol
LogP4.26
Rot. Bonds7

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

N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 46497554) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID46497554
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C22H24N4O2/c1-4-26(5-2)19-13-11-17(12-14-19)15-23-24-22(27)20-16(3)28-25-21(20)18-9-7-6-8-10-18/h6-15H,4-5H2,1-3H3,(H,24,27)/b23-15+
InChIKeyDMRFMQUSNOVOIX-HZHRSRAPSA-N
XLogP4.26
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.26
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)-[4-(diethylamino)phenyl]methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 46497554) is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is CCN(CC)c1ccc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)cc1.
What is the InChIKey of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is DMRFMQUSNOVOIX-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-4-26(5-2)19-13-11-17(12-14-19)15-23-24-22(27)20-16(3)28-25-21(20)18-9-7-6-8-10-18/h6-15H,4-5H2,1-3H3,(H,24,27)/b23-15+.
What are the key properties of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46497554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).