5-(4-chlorophenyl)-4-methyl-2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole

C15H14ClN3O — CID 75496349

IUPAC5-(4-chlorophenyl)-4-methyl-2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole
SMILESCc1ccn(Cc2nc(C)c(-c3ccc(Cl)cc3)o2)n1
InChIInChI=1S/C15H14ClN3O/c1-10-7-8-19(18-10)9-14-17-11(2)15(20-14)12-3-5-13(16)6-4-12/h3-8H,9H2,1-2H3
InChIKeyLYZRCEQAUJVUOH-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.86
Rot. Bonds3

About 5-(4-chlorophenyl)-4-methyl-2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole

5-(4-chlorophenyl)-4-methyl-2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole (PubChem CID 75496349) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-methyl-2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-methyl-2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole
PubChem CID75496349
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name5-(4-chlorophenyl)-4-methyl-2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole
SMILESCc1ccn(Cc2nc(C)c(-c3ccc(Cl)cc3)o2)n1
InChIInChI=1S/C15H14ClN3O/c1-10-7-8-19(18-10)9-14-17-11(2)15(20-14)12-3-5-13(16)6-4-12/h3-8H,9H2,1-2H3
InChIKeyLYZRCEQAUJVUOH-UHFFFAOYSA-N
XLogP3.86
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-methyl-2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 5-(4-chlorophenyl)-4-methyl-2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole (CID 75496349) is 5-(4-chlorophenyl)-4-methyl-2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 5-(4-chlorophenyl)-4-methyl-2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 5-(4-chlorophenyl)-4-methyl-2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole is Cc1ccn(Cc2nc(C)c(-c3ccc(Cl)cc3)o2)n1.
What is the InChIKey of 5-(4-chlorophenyl)-4-methyl-2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole?
The InChIKey is LYZRCEQAUJVUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-10-7-8-19(18-10)9-14-17-11(2)15(20-14)12-3-5-13(16)6-4-12/h3-8H,9H2,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-4-methyl-2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole?
5-(4-chlorophenyl)-4-methyl-2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole has a molecular weight of 287.75 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-methyl-2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 75496349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).