N-[(2,4-dichlorophenyl)methyl]-N-ethyl-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide

C20H18Cl2N2O2 — CID 171675390

IUPACN-[(2,4-dichlorophenyl)methyl]-N-ethyl-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
SMILESCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1c(C)noc1-c1ccccc1
InChIInChI=1S/C20H18Cl2N2O2/c1-3-24(12-15-9-10-16(21)11-17(15)22)20(25)18-13(2)23-26-19(18)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3
InChIKeyVMKRDCDJGQNEKF-UHFFFAOYSA-N
MW389.28 g/mol
LogP5.62
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methyl]-N-ethyl-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide

N-[(2,4-dichlorophenyl)methyl]-N-ethyl-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 171675390) has the molecular formula C20H18Cl2N2O2 and a molecular weight of 389.28 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-N-ethyl-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-N-ethyl-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
PubChem CID171675390
Molecular FormulaC20H18Cl2N2O2
Molecular Weight389.28 g/mol
Exact Mass388.07
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-N-ethyl-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
SMILESCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1c(C)noc1-c1ccccc1
InChIInChI=1S/C20H18Cl2N2O2/c1-3-24(12-15-9-10-16(21)11-17(15)22)20(25)18-13(2)23-26-19(18)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3
InChIKeyVMKRDCDJGQNEKF-UHFFFAOYSA-N
XLogP5.62
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.28
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-ethyl-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-ethyl-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide (CID 171675390) is N-[(2,4-dichlorophenyl)methyl]-N-ethyl-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-N-ethyl-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-N-ethyl-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide is CCN(Cc1ccc(Cl)cc1Cl)C(=O)c1c(C)noc1-c1ccccc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-N-ethyl-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is VMKRDCDJGQNEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O2/c1-3-24(12-15-9-10-16(21)11-17(15)22)20(25)18-13(2)23-26-19(18)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-N-ethyl-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-N-ethyl-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 389.28 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-N-ethyl-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 171675390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).