N-(2-methoxyethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide

C24H26N4O4 — CID 24980475

IUPACN-(2-methoxyethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide
SMILESCOCCNC(=O)c1cc(-c2ccccc2)n(CC2CC(c3ccc(OC)cc3)=NO2)n1
InChIInChI=1S/C24H26N4O4/c1-30-13-12-25-24(29)22-15-23(18-6-4-3-5-7-18)28(26-22)16-20-14-21(27-32-20)17-8-10-19(31-2)11-9-17/h3-11,15,20H,12-14,16H2,1-2H3,(H,25,29)
InChIKeyJAFBRFLGXQYFIY-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.13
Rot. Bonds9

About N-(2-methoxyethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide

N-(2-methoxyethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide (PubChem CID 24980475) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide
PubChem CID24980475
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-(2-methoxyethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide
SMILESCOCCNC(=O)c1cc(-c2ccccc2)n(CC2CC(c3ccc(OC)cc3)=NO2)n1
InChIInChI=1S/C24H26N4O4/c1-30-13-12-25-24(29)22-15-23(18-6-4-3-5-7-18)28(26-22)16-20-14-21(27-32-20)17-8-10-19(31-2)11-9-17/h3-11,15,20H,12-14,16H2,1-2H3,(H,25,29)
InChIKeyJAFBRFLGXQYFIY-UHFFFAOYSA-N
XLogP3.13
TPSA86.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide (CID 24980475) is N-(2-methoxyethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide is COCCNC(=O)c1cc(-c2ccccc2)n(CC2CC(c3ccc(OC)cc3)=NO2)n1.
What is the InChIKey of N-(2-methoxyethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide?
The InChIKey is JAFBRFLGXQYFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-30-13-12-25-24(29)22-15-23(18-6-4-3-5-7-18)28(26-22)16-20-14-21(27-32-20)17-8-10-19(31-2)11-9-17/h3-11,15,20H,12-14,16H2,1-2H3,(H,25,29).
What are the key properties of N-(2-methoxyethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide?
N-(2-methoxyethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 24980475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).