5-methyl-1-(2-methylphenyl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrazole-4-carboxamide

C22H20N4O2 — CID 71889400

IUPAC5-methyl-1-(2-methylphenyl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)NCc2ncc(-c3ccccc3)o2)c1C
InChIInChI=1S/C22H20N4O2/c1-15-8-6-7-11-19(15)26-16(2)18(12-25-26)22(27)24-14-21-23-13-20(28-21)17-9-4-3-5-10-17/h3-13H,14H2,1-2H3,(H,24,27)
InChIKeyGDKOCXUJRLDLNE-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.07
Rot. Bonds5

About 5-methyl-1-(2-methylphenyl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrazole-4-carboxamide

5-methyl-1-(2-methylphenyl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 71889400) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 5-methyl-1-(2-methylphenyl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(2-methylphenyl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrazole-4-carboxamide
PubChem CID71889400
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name5-methyl-1-(2-methylphenyl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)NCc2ncc(-c3ccccc3)o2)c1C
InChIInChI=1S/C22H20N4O2/c1-15-8-6-7-11-19(15)26-16(2)18(12-25-26)22(27)24-14-21-23-13-20(28-21)17-9-4-3-5-10-17/h3-13H,14H2,1-2H3,(H,24,27)
InChIKeyGDKOCXUJRLDLNE-UHFFFAOYSA-N
XLogP4.07
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119382600
5-methyl-1-(2-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818052
N-[2-(ethylamino)ethyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119505425
5-(ethylsulfamoyl)-2-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide
CID 86980193
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide
CID 47176259
5-methyl-1-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119510623
2,5-dimethoxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide
CID 86980175
1-[[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544055
3-acetamido-4-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide
CID 86991406
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide
CID 24957460
2-hydroxy-2-phenyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 111536667
(2R)-2-phenyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]propanamide
CID 99626152

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylphenyl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(2-methylphenyl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrazole-4-carboxamide (CID 71889400) is 5-methyl-1-(2-methylphenyl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(2-methylphenyl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(2-methylphenyl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrazole-4-carboxamide is Cc1ccccc1-n1ncc(C(=O)NCc2ncc(-c3ccccc3)o2)c1C.
What is the InChIKey of 5-methyl-1-(2-methylphenyl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is GDKOCXUJRLDLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-15-8-6-7-11-19(15)26-16(2)18(12-25-26)22(27)24-14-21-23-13-20(28-21)17-9-4-3-5-10-17/h3-13H,14H2,1-2H3,(H,24,27).
What are the key properties of 5-methyl-1-(2-methylphenyl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrazole-4-carboxamide?
5-methyl-1-(2-methylphenyl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylphenyl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 71889400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).