4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-phenyl-1,3-oxazole

C15H15N3O — CID 56665125

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-phenyl-1,3-oxazole
SMILESCc1cc(C)n(Cc2coc(-c3ccccc3)n2)n1
InChIInChI=1S/C15H15N3O/c1-11-8-12(2)18(17-11)9-14-10-19-15(16-14)13-6-4-3-5-7-13/h3-8,10H,9H2,1-2H3
InChIKeyLQNWTTBWBDBDRV-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.20
Rot. Bonds3

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-phenyl-1,3-oxazole

4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-phenyl-1,3-oxazole (PubChem CID 56665125) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-phenyl-1,3-oxazole
PubChem CID56665125
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-phenyl-1,3-oxazole
SMILESCc1cc(C)n(Cc2coc(-c3ccccc3)n2)n1
InChIInChI=1S/C15H15N3O/c1-11-8-12(2)18(17-11)9-14-10-19-15(16-14)13-6-4-3-5-7-13/h3-8,10H,9H2,1-2H3
InChIKeyLQNWTTBWBDBDRV-UHFFFAOYSA-N
XLogP3.20
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-phenyl-1,3-oxazole?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-phenyl-1,3-oxazole (CID 56665125) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-phenyl-1,3-oxazole is Cc1cc(C)n(Cc2coc(-c3ccccc3)n2)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-phenyl-1,3-oxazole?
The InChIKey is LQNWTTBWBDBDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-11-8-12(2)18(17-11)9-14-10-19-15(16-14)13-6-4-3-5-7-13/h3-8,10H,9H2,1-2H3.
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-phenyl-1,3-oxazole?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-phenyl-1,3-oxazole has a molecular weight of 253.31 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-phenyl-1,3-oxazole is sourced from PubChem (CID 56665125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).