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

C20H16N4O4 — CID 53049123

IUPACN-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2nc(CNC(=O)c3coc(-c4ccccc4)n3)no2)cc1
InChIInChI=1S/C20H16N4O4/c1-26-15-9-7-14(8-10-15)20-23-17(24-28-20)11-21-18(25)16-12-27-19(22-16)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,21,25)
InChIKeyWALYJIQWOIFMQN-UHFFFAOYSA-N
MW376.37 g/mol
LogP3.33
Rot. Bonds6

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

N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 53049123) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID53049123
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC NameN-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2nc(CNC(=O)c3coc(-c4ccccc4)n3)no2)cc1
InChIInChI=1S/C20H16N4O4/c1-26-15-9-7-14(8-10-15)20-23-17(24-28-20)11-21-18(25)16-12-27-19(22-16)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,21,25)
InChIKeyWALYJIQWOIFMQN-UHFFFAOYSA-N
XLogP3.33
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide (CID 53049123) is N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide is COc1ccc(-c2nc(CNC(=O)c3coc(-c4ccccc4)n3)no2)cc1.
What is the InChIKey of N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is WALYJIQWOIFMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c1-26-15-9-7-14(8-10-15)20-23-17(24-28-20)11-21-18(25)16-12-27-19(22-16)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,21,25).
What are the key properties of N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide?
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 376.37 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53049123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).