4-[(4-chlorophenyl)methyl]-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,3-oxazole

C22H22ClN3O — CID 59504765

IUPAC4-[(4-chlorophenyl)methyl]-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(Cn2nc(C3=NC(Cc4ccc(Cl)cc4)CO3)cc2C)cc1
InChIInChI=1S/C22H22ClN3O/c1-15-3-5-18(6-4-15)13-26-16(2)11-21(25-26)22-24-20(14-27-22)12-17-7-9-19(23)10-8-17/h3-11,20H,12-14H2,1-2H3
InChIKeyFOZVAAZEGCOKLL-UHFFFAOYSA-N
MW379.89 g/mol
LogP4.59
Rot. Bonds5

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

4-[(4-chlorophenyl)methyl]-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 59504765) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,3-oxazole
PubChem CID59504765
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC Name4-[(4-chlorophenyl)methyl]-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(Cn2nc(C3=NC(Cc4ccc(Cl)cc4)CO3)cc2C)cc1
InChIInChI=1S/C22H22ClN3O/c1-15-3-5-18(6-4-15)13-26-16(2)11-21(25-26)22-24-20(14-27-22)12-17-7-9-19(23)10-8-17/h3-11,20H,12-14H2,1-2H3
InChIKeyFOZVAAZEGCOKLL-UHFFFAOYSA-N
XLogP4.59
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,3-oxazole (CID 59504765) is 4-[(4-chlorophenyl)methyl]-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,3-oxazole is Cc1ccc(Cn2nc(C3=NC(Cc4ccc(Cl)cc4)CO3)cc2C)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is FOZVAAZEGCOKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O/c1-15-3-5-18(6-4-15)13-26-16(2)11-21(25-26)22-24-20(14-27-22)12-17-7-9-19(23)10-8-17/h3-11,20H,12-14H2,1-2H3.
What are the key properties of 4-[(4-chlorophenyl)methyl]-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,3-oxazole?
4-[(4-chlorophenyl)methyl]-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 379.89 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 59504765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).