N-[2-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide

C24H24N4O6 — CID 54469571

IUPACN-[2-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
SMILESCCC1OC(=O)N(Cc2ccccc2NC(=O)c2cnco2)N=C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H24N4O6/c1-4-18-22(15-9-10-19(31-2)20(11-15)32-3)27-28(24(30)34-18)13-16-7-5-6-8-17(16)26-23(29)21-12-25-14-33-21/h5-12,14,18H,4,13H2,1-3H3,(H,26,29)
InChIKeyXHIQZEYUVYWSIT-UHFFFAOYSA-N
MW464.48 g/mol
LogP4.08
Rot. Bonds8

About N-[2-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide

N-[2-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide (PubChem CID 54469571) has the molecular formula C24H24N4O6 and a molecular weight of 464.48 g/mol. Its IUPAC name is N-[2-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
PubChem CID54469571
Molecular FormulaC24H24N4O6
Molecular Weight464.48 g/mol
Exact Mass464.17
IUPAC NameN-[2-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
SMILESCCC1OC(=O)N(Cc2ccccc2NC(=O)c2cnco2)N=C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H24N4O6/c1-4-18-22(15-9-10-19(31-2)20(11-15)32-3)27-28(24(30)34-18)13-16-7-5-6-8-17(16)26-23(29)21-12-25-14-33-21/h5-12,14,18H,4,13H2,1-3H3,(H,26,29)
InChIKeyXHIQZEYUVYWSIT-UHFFFAOYSA-N
XLogP4.08
TPSA115.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(2-aminophenyl)methyl]-5-(3,4-dimethoxyphenyl)-6-ethyl-6H-1,3,4-oxadiazin-2-one
CID 54120846
N-[3-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1H-pyrazole-5-carboxamide
CID 54058579
N-[4-[[5-(4-ethoxy-3-methoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]pyridine-4-carboxamide
CID 54011452
N-[4-[[5-[4-(difluoromethoxy)-3-methoxyphenyl]-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 54392104
N-[4-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
CID 54191312
3-[(4-aminophenyl)methyl]-5-(4-ethoxy-3-methoxyphenyl)-6-ethyl-6H-1,3,4-oxadiazin-2-one
CID 54545316
N-[2-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide
CID 54073612
N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
CID 54345414
N-[4-[[(6R)-5-(3-cyclopentyloxy-4-methoxyphenyl)-6-ethyl-2-formyl-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
CID 174461928
N-[4-[[6-ethyl-5-(3-hydroxy-4-methoxyphenyl)-2-oxo-6H-1,3,4-thiadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
CID 54056480
6-chloro-N-[4-[2-[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]ethyl]phenyl]pyridazine-3-carboxamide
CID 54245053
N-[4-[[(6R)-6-ethyl-2-formyl-5-(3-hydroxy-4-methoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
CID 175242467

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[2-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide (CID 54469571) is N-[2-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[2-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide is CCC1OC(=O)N(Cc2ccccc2NC(=O)c2cnco2)N=C1c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide?
The InChIKey is XHIQZEYUVYWSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O6/c1-4-18-22(15-9-10-19(31-2)20(11-15)32-3)27-28(24(30)34-18)13-16-7-5-6-8-17(16)26-23(29)21-12-25-14-33-21/h5-12,14,18H,4,13H2,1-3H3,(H,26,29).
What are the key properties of N-[2-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide?
N-[2-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide has a molecular weight of 464.48 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 54469571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).