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

C24H22F2N4O6 — CID 54392104

IUPACN-[4-[[5-[4-(difluoromethoxy)-3-methoxyphenyl]-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide
SMILESCCC1OC(=O)N(Cc2ccc(NC(=O)c3ccno3)cc2)N=C1c1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C24H22F2N4O6/c1-3-17-21(15-6-9-18(34-23(25)26)20(12-15)33-2)29-30(24(32)35-17)13-14-4-7-16(8-5-14)28-22(31)19-10-11-27-36-19/h4-12,17,23H,3,13H2,1-2H3,(H,28,31)
InChIKeyVHJCWLBAWQIFCW-UHFFFAOYSA-N
MW500.46 g/mol
LogP4.67
Rot. Bonds9

About 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

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 (PubChem CID 54392104) has the molecular formula C24H22F2N4O6 and a molecular weight of 500.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[4-[[5-[4-(difluoromethoxy)-3-methoxyphenyl]-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide
PubChem CID54392104
Molecular FormulaC24H22F2N4O6
Molecular Weight500.46 g/mol
Exact Mass500.15
IUPAC NameN-[4-[[5-[4-(difluoromethoxy)-3-methoxyphenyl]-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide
SMILESCCC1OC(=O)N(Cc2ccc(NC(=O)c3ccno3)cc2)N=C1c1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C24H22F2N4O6/c1-3-17-21(15-6-9-18(34-23(25)26)20(12-15)33-2)29-30(24(32)35-17)13-14-4-7-16(8-5-14)28-22(31)19-10-11-27-36-19/h4-12,17,23H,3,13H2,1-2H3,(H,28,31)
InChIKeyVHJCWLBAWQIFCW-UHFFFAOYSA-N
XLogP4.67
TPSA115.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.46
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1OC(=O)N(Cc2ccc(NC(=O)c3ccno3)cc2)N=C1c1ccc(OC(F)F)c(OC)c1.
What is the InChIKey of 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?
The InChIKey is VHJCWLBAWQIFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O6/c1-3-17-21(15-6-9-18(34-23(25)26)20(12-15)33-2)29-30(24(32)35-17)13-14-4-7-16(8-5-14)28-22(31)19-10-11-27-36-19/h4-12,17,23H,3,13H2,1-2H3,(H,28,31).
What are the key properties of 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?
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 has a molecular weight of 500.46 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 54392104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).