2-(2,4-dichlorophenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole

C20H15Cl2N3O — CID 56658759

IUPAC2-(2,4-dichlorophenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole
SMILESCc1nn(Cc2coc(-c3ccc(Cl)cc3Cl)n2)cc1-c1ccccc1
InChIInChI=1S/C20H15Cl2N3O/c1-13-18(14-5-3-2-4-6-14)11-25(24-13)10-16-12-26-20(23-16)17-8-7-15(21)9-19(17)22/h2-9,11-12H,10H2,1H3
InChIKeySPRDIRNXCRLZHO-UHFFFAOYSA-N
MW384.27 g/mol
LogP5.87
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole

2-(2,4-dichlorophenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole (PubChem CID 56658759) has the molecular formula C20H15Cl2N3O and a molecular weight of 384.27 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole
PubChem CID56658759
Molecular FormulaC20H15Cl2N3O
Molecular Weight384.27 g/mol
Exact Mass383.06
IUPAC Name2-(2,4-dichlorophenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole
SMILESCc1nn(Cc2coc(-c3ccc(Cl)cc3Cl)n2)cc1-c1ccccc1
InChIInChI=1S/C20H15Cl2N3O/c1-13-18(14-5-3-2-4-6-14)11-25(24-13)10-16-12-26-20(23-16)17-8-7-15(21)9-19(17)22/h2-9,11-12H,10H2,1H3
InChIKeySPRDIRNXCRLZHO-UHFFFAOYSA-N
XLogP5.87
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.27
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(2,4-dichlorophenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole (CID 56658759) is 2-(2,4-dichlorophenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(2,4-dichlorophenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole is Cc1nn(Cc2coc(-c3ccc(Cl)cc3Cl)n2)cc1-c1ccccc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole?
The InChIKey is SPRDIRNXCRLZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O/c1-13-18(14-5-3-2-4-6-14)11-25(24-13)10-16-12-26-20(23-16)17-8-7-15(21)9-19(17)22/h2-9,11-12H,10H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole?
2-(2,4-dichlorophenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole has a molecular weight of 384.27 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 56658759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).