3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C22H22N4O4 — CID 5307145

IUPAC3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C(=O)Nc3cc(C)nn3-c3ccccc3)C2)cc1OC
InChIInChI=1S/C22H22N4O4/c1-14-11-21(26(24-14)16-7-5-4-6-8-16)23-22(27)20-13-17(25-30-20)15-9-10-18(28-2)19(12-15)29-3/h4-12,20H,13H2,1-3H3,(H,23,27)
InChIKeySWUONPCIYMNOLY-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.33
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 5307145) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID5307145
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C(=O)Nc3cc(C)nn3-c3ccccc3)C2)cc1OC
InChIInChI=1S/C22H22N4O4/c1-14-11-21(26(24-14)16-7-5-4-6-8-16)23-22(27)20-13-17(25-30-20)15-9-10-18(28-2)19(12-15)29-3/h4-12,20H,13H2,1-3H3,(H,23,27)
InChIKeySWUONPCIYMNOLY-UHFFFAOYSA-N
XLogP3.33
TPSA86.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,3-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2353715
N-(1,3-diphenyl-1H-pyrazol-5-yl)-3-methoxybenzamide
CID 11710424
3,4,5-trimethoxy-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide
CID 1269291
[2-[(5-Methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7853842
N-(1-phenyl-3-(3-methoxyphenyl)-1H-pyrazol-3-yl)benzamide
CID 11717640
[2-[(5-Methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 24982767
N-[4-(3,4-Dimethoxy-phenyl)-5-methyl-2-phenyl-2H-pyrazol-3-yl]-acetamide
CID 988997
4-(1,3-benzodioxol-5-yl)-1-(3,5-dimethylphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135653431
N-[3-(2-fluorophenyl)-1-phenyl-1H-pyrazol-5-yl]-2-(3-methylphenoxy)acetamide
CID 16030773
3-(2,5-Dimethoxyphenyl)-N-(3-methyl-1-phenyl-1H-pyrazol-5-YL)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 5308313
3-(2,3-dimethoxyphenyl)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 5309216
3,4-dimethoxy-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11553077

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 5307145) is 3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc(C2=NOC(C(=O)Nc3cc(C)nn3-c3ccccc3)C2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is SWUONPCIYMNOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-14-11-21(26(24-14)16-7-5-4-6-8-16)23-22(27)20-13-17(25-30-20)15-9-10-18(28-2)19(12-15)29-3/h4-12,20H,13H2,1-3H3,(H,23,27).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 406.44 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 5307145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).