5-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide

C15H14Cl2N2O3 — CID 3158169

IUPAC5-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(-c2ccc(Cl)cc2Cl)on1
InChIInChI=1S/C15H14Cl2N2O3/c16-9-3-4-11(12(17)6-9)14-7-13(19-22-14)15(20)18-8-10-2-1-5-21-10/h3-4,6-7,10H,1-2,5,8H2,(H,18,20)
InChIKeyBJJJURJDGNMQLT-UHFFFAOYSA-N
MW341.19 g/mol
LogP3.56
Rot. Bonds4

About 5-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide

5-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 3158169) has the molecular formula C15H14Cl2N2O3 and a molecular weight of 341.19 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID3158169
Molecular FormulaC15H14Cl2N2O3
Molecular Weight341.19 g/mol
Exact Mass340.04
IUPAC Name5-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(-c2ccc(Cl)cc2Cl)on1
InChIInChI=1S/C15H14Cl2N2O3/c16-9-3-4-11(12(17)6-9)14-7-13(19-22-14)15(20)18-8-10-2-1-5-21-10/h3-4,6-7,10H,1-2,5,8H2,(H,18,20)
InChIKeyBJJJURJDGNMQLT-UHFFFAOYSA-N
XLogP3.56
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 3243805
N-cyclopentyl-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 1093826
Azepan-1-yl-[5-(2,4-dichloro-phenyl)-isoxazol-3-yl]-methanone
CID 1093827
5-(2-chlorophenyl)-N-cyclohexyl-3-isoxazolecarboxamide
CID 1093865
5-(2-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 1093869
5-(4-chlorophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
CID 6619223
5-(3-chlorophenyl)-N-cyclopentyl-3-isoxazolecarboxamide
CID 15993274
N-[3-(4-morpholinyl)propyl]-5-phenyl-3-isoxazolecarboxamide
CID 2217157
[5-(2,4-Dichloro-phenyl)-isoxazol-3-yl]-pyrrolidin-1-yl-methanone
CID 1093829
5-(2-chlorophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
CID 1093861
[5-(2-Chloro-phenyl)-isoxazol-3-yl]-pyrrolidin-1-yl-methanone
CID 1093868
N-[2-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 1245472

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide (CID 3158169) is 5-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(NCC1CCCO1)c1cc(-c2ccc(Cl)cc2Cl)on1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is BJJJURJDGNMQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3/c16-9-3-4-11(12(17)6-9)14-7-13(19-22-14)15(20)18-8-10-2-1-5-21-10/h3-4,6-7,10H,1-2,5,8H2,(H,18,20).
What are the key properties of 5-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide?
5-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 341.19 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3158169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).