N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide

C22H20N4O4 — CID 3245828

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)no1
InChIInChI=1S/C22H20N4O4/c1-14-20(22(28)26(25(14)2)15-9-5-4-6-10-15)23-21(27)17-13-19(30-24-17)16-11-7-8-12-18(16)29-3/h4-13H,1-3H3,(H,23,27)
InChIKeyOTGGXFGAOHGVGJ-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.40
Rot. Bonds5

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 3245828) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID3245828
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)no1
InChIInChI=1S/C22H20N4O4/c1-14-20(22(28)26(25(14)2)15-9-5-4-6-10-15)23-21(27)17-13-19(30-24-17)16-11-7-8-12-18(16)29-3/h4-13H,1-3H3,(H,23,27)
InChIKeyOTGGXFGAOHGVGJ-UHFFFAOYSA-N
XLogP3.40
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093725
N-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093730
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide
CID 25163346
N-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093771
5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3494857
N-(2-ethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5016617
4-[5-(2-Methoxyphenyl)-1,2-oxazole-3-carbonyl]morpholine
CID 22427430
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-phenyl-3-isoxazolecarboxamide
CID 1302330
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-7-methoxy-4,5-dihydronaphtho[2,1-d]isoxazole-3-carboxamide
CID 3242723
N-(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))[5-(3-methoxyphenyl)isoxazol-3-yl]carboxamide
CID 9551038
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(4-methoxyphenyl)isoxazole-3-carboxamide
CID 15988675
N-(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))[5-(4-fluorophenyl)isoxazol-3-yl]carboxamide
CID 15988804

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 3245828) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccccc1-c1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)no1.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is OTGGXFGAOHGVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-14-20(22(28)26(25(14)2)15-9-5-4-6-10-15)23-21(27)17-13-19(30-24-17)16-11-7-8-12-18(16)29-3/h4-13H,1-3H3,(H,23,27).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3245828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).