2-(1-benzyl-3-phenylpyrazol-4-yl)-5-methyl-1,3-benzoxazole

C24H19N3O — CID 175684538

IUPAC2-(1-benzyl-3-phenylpyrazol-4-yl)-5-methyl-1,3-benzoxazole
SMILESCc1ccc2oc(-c3cn(Cc4ccccc4)nc3-c3ccccc3)nc2c1
InChIInChI=1S/C24H19N3O/c1-17-12-13-22-21(14-17)25-24(28-22)20-16-27(15-18-8-4-2-5-9-18)26-23(20)19-10-6-3-7-11-19/h2-14,16H,15H2,1H3
InChIKeyAPMZFDRSXVPBPW-UHFFFAOYSA-N
MW365.44 g/mol
LogP5.72
Rot. Bonds4

About 2-(1-benzyl-3-phenylpyrazol-4-yl)-5-methyl-1,3-benzoxazole

2-(1-benzyl-3-phenylpyrazol-4-yl)-5-methyl-1,3-benzoxazole (PubChem CID 175684538) has the molecular formula C24H19N3O and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-(1-benzyl-3-phenylpyrazol-4-yl)-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1-benzyl-3-phenylpyrazol-4-yl)-5-methyl-1,3-benzoxazole
PubChem CID175684538
Molecular FormulaC24H19N3O
Molecular Weight365.44 g/mol
Exact Mass365.15
IUPAC Name2-(1-benzyl-3-phenylpyrazol-4-yl)-5-methyl-1,3-benzoxazole
SMILESCc1ccc2oc(-c3cn(Cc4ccccc4)nc3-c3ccccc3)nc2c1
InChIInChI=1S/C24H19N3O/c1-17-12-13-22-21(14-17)25-24(28-22)20-16-27(15-18-8-4-2-5-9-18)26-23(20)19-10-6-3-7-11-19/h2-14,16H,15H2,1H3
InChIKeyAPMZFDRSXVPBPW-UHFFFAOYSA-N
XLogP5.72
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.44
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-3-phenylpyrazol-4-yl)-5-methyl-1,3-benzoxazole?
The IUPAC name of 2-(1-benzyl-3-phenylpyrazol-4-yl)-5-methyl-1,3-benzoxazole (CID 175684538) is 2-(1-benzyl-3-phenylpyrazol-4-yl)-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-(1-benzyl-3-phenylpyrazol-4-yl)-5-methyl-1,3-benzoxazole?
The canonical SMILES for 2-(1-benzyl-3-phenylpyrazol-4-yl)-5-methyl-1,3-benzoxazole is Cc1ccc2oc(-c3cn(Cc4ccccc4)nc3-c3ccccc3)nc2c1.
What is the InChIKey of 2-(1-benzyl-3-phenylpyrazol-4-yl)-5-methyl-1,3-benzoxazole?
The InChIKey is APMZFDRSXVPBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O/c1-17-12-13-22-21(14-17)25-24(28-22)20-16-27(15-18-8-4-2-5-9-18)26-23(20)19-10-6-3-7-11-19/h2-14,16H,15H2,1H3.
What are the key properties of 2-(1-benzyl-3-phenylpyrazol-4-yl)-5-methyl-1,3-benzoxazole?
2-(1-benzyl-3-phenylpyrazol-4-yl)-5-methyl-1,3-benzoxazole has a molecular weight of 365.44 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-3-phenylpyrazol-4-yl)-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 175684538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).