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

C22H20N4O4 — CID 15988803

IUPAC5-(3,4-dimethoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(C)nn3-c3ccccc3)no2)cc1OC
InChIInChI=1S/C22H20N4O4/c1-14-11-21(26(24-14)16-7-5-4-6-8-16)23-22(27)17-13-19(30-25-17)15-9-10-18(28-2)20(12-15)29-3/h4-13H,1-3H3,(H,23,27)
InChIKeyDCLNIGAUAAZCLJ-UHFFFAOYSA-N
MW404.43 g/mol
LogP4.11
Rot. Bonds6

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

5-(3,4-dimethoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 15988803) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID15988803
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC Name5-(3,4-dimethoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(C)nn3-c3ccccc3)no2)cc1OC
InChIInChI=1S/C22H20N4O4/c1-14-11-21(26(24-14)16-7-5-4-6-8-16)23-22(27)17-13-19(30-25-17)15-9-10-18(28-2)20(12-15)29-3/h4-13H,1-3H3,(H,23,27)
InChIKeyDCLNIGAUAAZCLJ-UHFFFAOYSA-N
XLogP4.11
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide (CID 15988803) is 5-(3,4-dimethoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)Nc3cc(C)nn3-c3ccccc3)no2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is DCLNIGAUAAZCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-14-11-21(26(24-14)16-7-5-4-6-8-16)23-22(27)17-13-19(30-25-17)15-9-10-18(28-2)20(12-15)29-3/h4-13H,1-3H3,(H,23,27).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
5-(3,4-dimethoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 15988803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).