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

C17H12Cl2N2O3 — CID 59370592

IUPACN-[(2,4-dichlorophenyl)methyl]-5-oxo-3-phenyl-1,2-oxazole-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)n1oc(=O)cc1-c1ccccc1
InChIInChI=1S/C17H12Cl2N2O3/c18-13-7-6-12(14(19)8-13)10-20-17(23)21-15(9-16(22)24-21)11-4-2-1-3-5-11/h1-9H,10H2,(H,20,23)
InChIKeyBVZKHUAIWOXISN-UHFFFAOYSA-N
MW363.20 g/mol
LogP4.17
Rot. Bonds3

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

N-[(2,4-dichlorophenyl)methyl]-5-oxo-3-phenyl-1,2-oxazole-2-carboxamide (PubChem CID 59370592) has the molecular formula C17H12Cl2N2O3 and a molecular weight of 363.20 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-5-oxo-3-phenyl-1,2-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-5-oxo-3-phenyl-1,2-oxazole-2-carboxamide
PubChem CID59370592
Molecular FormulaC17H12Cl2N2O3
Molecular Weight363.20 g/mol
Exact Mass362.02
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-5-oxo-3-phenyl-1,2-oxazole-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)n1oc(=O)cc1-c1ccccc1
InChIInChI=1S/C17H12Cl2N2O3/c18-13-7-6-12(14(19)8-13)10-20-17(23)21-15(9-16(22)24-21)11-4-2-1-3-5-11/h1-9H,10H2,(H,20,23)
InChIKeyBVZKHUAIWOXISN-UHFFFAOYSA-N
XLogP4.17
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-benzoyl-N-[(2,4-dichlorophenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide
CID 71554897
N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide
CID 115193657
2-(2,4-dichlorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 46553550
N-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide
CID 86795720
N-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide
CID 60647537
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657
N-[(2,4-dichlorophenyl)methyl]-3-phenoxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 66927664
N-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4987887
2-[[N-[(2,4-dichlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-phenylacetamide
CID 111197646
N-[(2,4-dichlorophenyl)methylcarbamothioyl]-2,2-diphenylacetamide
CID 46762705
1-[(2,4-dichlorophenyl)methyl]-3-(2-fluorophenyl)urea
CID 47103647
(2S)-1-N,2-N-bis[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxamide
CID 139551537

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-5-oxo-3-phenyl-1,2-oxazole-2-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-5-oxo-3-phenyl-1,2-oxazole-2-carboxamide (CID 59370592) is N-[(2,4-dichlorophenyl)methyl]-5-oxo-3-phenyl-1,2-oxazole-2-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-5-oxo-3-phenyl-1,2-oxazole-2-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-5-oxo-3-phenyl-1,2-oxazole-2-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)n1oc(=O)cc1-c1ccccc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-5-oxo-3-phenyl-1,2-oxazole-2-carboxamide?
The InChIKey is BVZKHUAIWOXISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3/c18-13-7-6-12(14(19)8-13)10-20-17(23)21-15(9-16(22)24-21)11-4-2-1-3-5-11/h1-9H,10H2,(H,20,23).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-5-oxo-3-phenyl-1,2-oxazole-2-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-5-oxo-3-phenyl-1,2-oxazole-2-carboxamide has a molecular weight of 363.20 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-5-oxo-3-phenyl-1,2-oxazole-2-carboxamide is sourced from PubChem (CID 59370592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).