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

C22H20N4O2 — CID 2738162

IUPAC5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1CNC(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C22H20N4O2/c1-15-19(14-24-26(15)18-11-7-4-8-12-18)22(27)23-13-20-16(2)28-25-21(20)17-9-5-3-6-10-17/h3-12,14H,13H2,1-2H3,(H,23,27)
InChIKeyIHSUVXIBCRSFPV-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.07
Rot. Bonds5

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

5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 2738162) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-carboxamide
PubChem CID2738162
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1CNC(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C22H20N4O2/c1-15-19(14-24-26(15)18-11-7-4-8-12-18)22(27)23-13-20-16(2)28-25-21(20)17-9-5-3-6-10-17/h3-12,14H,13H2,1-2H3,(H,23,27)
InChIKeyIHSUVXIBCRSFPV-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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-carboxamide (CID 2738162) is 5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-carboxamide is Cc1onc(-c2ccccc2)c1CNC(=O)c1cnn(-c2ccccc2)c1C.
What is the InChIKey of 5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is IHSUVXIBCRSFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-15-19(14-24-26(15)18-11-7-4-8-12-18)22(27)23-13-20-16(2)28-25-21(20)17-9-5-3-6-10-17/h3-12,14H,13H2,1-2H3,(H,23,27).
What are the key properties of 5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-carboxamide?
5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-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-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 2738162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).