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

C24H25N5O5 — CID 54058579

IUPACN-[3-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1H-pyrazole-5-carboxamide
SMILESCCC1OC(=O)N(Cc2cccc(NC(=O)c3ccn[nH]3)c2)N=C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H25N5O5/c1-4-19-22(16-8-9-20(32-2)21(13-16)33-3)28-29(24(31)34-19)14-15-6-5-7-17(12-15)26-23(30)18-10-11-25-27-18/h5-13,19H,4,14H2,1-3H3,(H,25,27)(H,26,30)
InChIKeyLYAFRVFUVJJDCQ-UHFFFAOYSA-N
MW463.49 g/mol
LogP3.81
Rot. Bonds8

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

N-[3-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 54058579) has the molecular formula C24H25N5O5 and a molecular weight of 463.49 g/mol. Its IUPAC name is N-[3-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1H-pyrazole-5-carboxamide
PubChem CID54058579
Molecular FormulaC24H25N5O5
Molecular Weight463.49 g/mol
Exact Mass463.19
IUPAC NameN-[3-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1H-pyrazole-5-carboxamide
SMILESCCC1OC(=O)N(Cc2cccc(NC(=O)c3ccn[nH]3)c2)N=C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H25N5O5/c1-4-19-22(16-8-9-20(32-2)21(13-16)33-3)28-29(24(31)34-19)14-15-6-5-7-17(12-15)26-23(30)18-10-11-25-27-18/h5-13,19H,4,14H2,1-3H3,(H,25,27)(H,26,30)
InChIKeyLYAFRVFUVJJDCQ-UHFFFAOYSA-N
XLogP3.81
TPSA118.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

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-[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
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
3-[(2-aminophenyl)methyl]-5-(3,4-dimethoxyphenyl)-6-ethyl-6H-1,3,4-oxadiazin-2-one
CID 54120846
N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 10205542
N-[4-[[6-ethyl-5-(3-hydroxy-4-methoxyphenyl)-2-oxo-6H-1,3,4-thiadiazin-3-yl]methyl]phenyl]-1H-pyrazole-5-carboxamide
CID 54152461
N-[4-[[5-(3-cyclopentyloxy-4-methoxyphenyl)-6-ethyl-2-formyl-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1H-pyrazole-5-carboxamide
CID 174461772
N-[3-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-thiadiazin-3-yl]methyl]phenyl]thiophene-2-carboxamide
CID 54350462
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-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide
CID 18623569
3-[(4-aminophenyl)methyl]-5-(4-ethoxy-3-methoxyphenyl)-6-ethyl-6H-1,3,4-oxadiazin-2-one
CID 54545316
N-[3-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-thiadiazin-3-yl]methyl]phenyl]pentanamide
CID 19358159

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 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) is N-[3-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1H-pyrazole-5-carboxamide is CCC1OC(=O)N(Cc2cccc(NC(=O)c3ccn[nH]3)c2)N=C1c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[3-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is LYAFRVFUVJJDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5/c1-4-19-22(16-8-9-20(32-2)21(13-16)33-3)28-29(24(31)34-19)14-15-6-5-7-17(12-15)26-23(30)18-10-11-25-27-18/h5-13,19H,4,14H2,1-3H3,(H,25,27)(H,26,30).
What are the key properties of N-[3-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1H-pyrazole-5-carboxamide?
N-[3-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 463.49 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 54058579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).