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

C21H18N4O4 — CID 46978542

IUPAC3-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)Cc3nnc(-c4ccccc4)o3)on2)cc1
InChIInChI=1S/C21H18N4O4/c1-25(13-19-22-23-20(28-19)15-6-4-3-5-7-15)21(26)18-12-17(24-29-18)14-8-10-16(27-2)11-9-14/h3-12H,13H2,1-2H3
InChIKeyKLYWGBVATCXIDR-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.67
Rot. Bonds6

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

3-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide (PubChem CID 46978542) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
PubChem CID46978542
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC Name3-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)Cc3nnc(-c4ccccc4)o3)on2)cc1
InChIInChI=1S/C21H18N4O4/c1-25(13-19-22-23-20(28-19)15-6-4-3-5-7-15)21(26)18-12-17(24-29-18)14-8-10-16(27-2)11-9-14/h3-12H,13H2,1-2H3
InChIKeyKLYWGBVATCXIDR-UHFFFAOYSA-N
XLogP3.67
TPSA94.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide (CID 46978542) is 3-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide is COc1ccc(-c2cc(C(=O)N(C)Cc3nnc(-c4ccccc4)o3)on2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is KLYWGBVATCXIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4/c1-25(13-19-22-23-20(28-19)15-6-4-3-5-7-15)21(26)18-12-17(24-29-18)14-8-10-16(27-2)11-9-14/h3-12H,13H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide?
3-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 390.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46978542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).