5-(3,4-dimethoxyphenyl)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide

C24H24N4O5 — CID 139582895

IUPAC5-(3,4-dimethoxyphenyl)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC(c3nc(-c4ccccc4)no3)C(C)C)no2)cc1OC
InChIInChI=1S/C24H24N4O5/c1-14(2)21(24-26-22(28-33-24)15-8-6-5-7-9-15)25-23(29)17-13-19(32-27-17)16-10-11-18(30-3)20(12-16)31-4/h5-14,21H,1-4H3,(H,25,29)
InChIKeyVUPVZNXUUIQSOC-UHFFFAOYSA-N
MW448.48 g/mol
LogP4.54
Rot. Bonds8

About 5-(3,4-dimethoxyphenyl)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide

5-(3,4-dimethoxyphenyl)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide (PubChem CID 139582895) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide
PubChem CID139582895
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC Name5-(3,4-dimethoxyphenyl)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC(c3nc(-c4ccccc4)no3)C(C)C)no2)cc1OC
InChIInChI=1S/C24H24N4O5/c1-14(2)21(24-26-22(28-33-24)15-8-6-5-7-9-15)25-23(29)17-13-19(32-27-17)16-10-11-18(30-3)20(12-16)31-4/h5-14,21H,1-4H3,(H,25,29)
InChIKeyVUPVZNXUUIQSOC-UHFFFAOYSA-N
XLogP4.54
TPSA112.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide (CID 139582895) is 5-(3,4-dimethoxyphenyl)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)NC(c3nc(-c4ccccc4)no3)C(C)C)no2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is VUPVZNXUUIQSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5/c1-14(2)21(24-26-22(28-33-24)15-8-6-5-7-9-15)25-23(29)17-13-19(32-27-17)16-10-11-18(30-3)20(12-16)31-4/h5-14,21H,1-4H3,(H,25,29).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide?
5-(3,4-dimethoxyphenyl)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 448.48 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 139582895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).