5-(3,4-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide

C23H22N4O4 — CID 3239116

IUPAC5-(3,4-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4C)c3)no2)cc1OC
InChIInChI=1S/C23H22N4O4/c1-15-6-4-5-7-17(15)13-27-14-18(12-24-27)25-23(28)19-11-21(31-26-19)16-8-9-20(29-2)22(10-16)30-3/h4-12,14H,13H2,1-3H3,(H,25,28)
InChIKeyDXCMUDWXIWURQG-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.16
Rot. Bonds7

About 5-(3,4-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide

5-(3,4-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 3239116) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID3239116
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name5-(3,4-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4C)c3)no2)cc1OC
InChIInChI=1S/C23H22N4O4/c1-15-6-4-5-7-17(15)13-27-14-18(12-24-27)25-23(28)19-11-21(31-26-19)16-8-9-20(29-2)22(10-16)30-3/h4-12,14H,13H2,1-3H3,(H,25,28)
InChIKeyDXCMUDWXIWURQG-UHFFFAOYSA-N
XLogP4.16
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.16
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-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide (CID 3239116) is 5-(3,4-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4C)c3)no2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is DXCMUDWXIWURQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-15-6-4-5-7-17(15)13-27-14-18(12-24-27)25-23(28)19-11-21(31-26-19)16-8-9-20(29-2)22(10-16)30-3/h4-12,14H,13H2,1-3H3,(H,25,28).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
5-(3,4-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 418.45 g/mol, XLogP of 4.16, 7 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-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3239116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).