3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C19H19ClN2O2 — CID 45198365

IUPAC3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccccc1CNC(=O)C1CC(Cc2cccc(Cl)c2)=NO1
InChIInChI=1S/C19H19ClN2O2/c1-13-5-2-3-7-15(13)12-21-19(23)18-11-17(22-24-18)10-14-6-4-8-16(20)9-14/h2-9,18H,10-12H2,1H3,(H,21,23)
InChIKeyARZQNTOMANCFGE-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.65
Rot. Bonds5

About 3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 45198365) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID45198365
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccccc1CNC(=O)C1CC(Cc2cccc(Cl)c2)=NO1
InChIInChI=1S/C19H19ClN2O2/c1-13-5-2-3-7-15(13)12-21-19(23)18-11-17(22-24-18)10-14-6-4-8-16(20)9-14/h2-9,18H,10-12H2,1H3,(H,21,23)
InChIKeyARZQNTOMANCFGE-UHFFFAOYSA-N
XLogP3.65
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 45198365) is 3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1ccccc1CNC(=O)C1CC(Cc2cccc(Cl)c2)=NO1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is ARZQNTOMANCFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-13-5-2-3-7-15(13)12-21-19(23)18-11-17(22-24-18)10-14-6-4-8-16(20)9-14/h2-9,18H,10-12H2,1H3,(H,21,23).
What are the key properties of 3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 45198365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).