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

C21H18N4O3 — CID 3243394

IUPAC5-(2-methoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2cc(C)nn2-c2ccccc2)no1
InChIInChI=1S/C21H18N4O3/c1-14-12-20(25(23-14)15-8-4-3-5-9-15)22-21(26)17-13-19(28-24-17)16-10-6-7-11-18(16)27-2/h3-13H,1-2H3,(H,22,26)
InChIKeyJZRACMMNONVYRT-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.10
Rot. Bonds5

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

5-(2-methoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 3243394) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID3243394
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name5-(2-methoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2cc(C)nn2-c2ccccc2)no1
InChIInChI=1S/C21H18N4O3/c1-14-12-20(25(23-14)15-8-4-3-5-9-15)22-21(26)17-13-19(28-24-17)16-10-6-7-11-18(16)27-2/h3-13H,1-2H3,(H,22,26)
InChIKeyJZRACMMNONVYRT-UHFFFAOYSA-N
XLogP4.10
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2-methoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide (CID 3243394) is 5-(2-methoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2-methoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2-methoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide is COc1ccccc1-c1cc(C(=O)Nc2cc(C)nn2-c2ccccc2)no1.
What is the InChIKey of 5-(2-methoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is JZRACMMNONVYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-14-12-20(25(23-14)15-8-4-3-5-9-15)22-21(26)17-13-19(28-24-17)16-10-6-7-11-18(16)27-2/h3-13H,1-2H3,(H,22,26).
What are the key properties of 5-(2-methoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
5-(2-methoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3243394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).