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

C22H24ClN3O — CID 45191743

IUPAC2-(4-chlorophenyl)-5-methyl-4-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CN1CCN(c2ccccc2)CC1C
InChIInChI=1S/C22H24ClN3O/c1-16-14-26(20-6-4-3-5-7-20)13-12-25(16)15-21-17(2)27-22(24-21)18-8-10-19(23)11-9-18/h3-11,16H,12-15H2,1-2H3
InChIKeyGHZNPXCTRGYORS-UHFFFAOYSA-N
MW381.91 g/mol
LogP5.01
Rot. Bonds4

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

2-(4-chlorophenyl)-5-methyl-4-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-oxazole (PubChem CID 45191743) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-methyl-4-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-methyl-4-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
PubChem CID45191743
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC Name2-(4-chlorophenyl)-5-methyl-4-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CN1CCN(c2ccccc2)CC1C
InChIInChI=1S/C22H24ClN3O/c1-16-14-26(20-6-4-3-5-7-20)13-12-25(16)15-21-17(2)27-22(24-21)18-8-10-19(23)11-9-18/h3-11,16H,12-15H2,1-2H3
InChIKeyGHZNPXCTRGYORS-UHFFFAOYSA-N
XLogP5.01
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.91
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-3-yl)-5-methyl-4-[[(2R)-2-methyl-4-phenylpiperazin-1-yl]methyl]-1,3-oxazole
CID 26399402
2-(4-chlorophenyl)-5-methyl-4-[[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 45280650
3-(4-chlorophenyl)-5-[[(2R)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 42101265
2-(4-chlorophenyl)-4-[[(2R)-2-(methoxymethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 25295435
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)-5-methyl-1,3-oxazole
CID 42094310
2-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-phenylpiperazine
CID 131939868
N-methyl-4-[5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide
CID 22577703
(2S,6R)-2,6-dimethyl-4-[1-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]morpholine
CID 29124095
2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-azaspiro[3.3]heptane-6-carboxylic acid
CID 178059455
4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(4-chlorophenyl)-5-methyl-1,3-oxazole
CID 42530326
5-methyl-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-2-[4-(4-methylsulfonylphenyl)phenyl]-1,3-oxazole
CID 58951492
5-methyl-4-[[(2S)-2-methylpiperazin-1-yl]methyl]-2-(4-methylsulfanylphenyl)-1,3-oxazole
CID 95221363

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-methyl-4-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(4-chlorophenyl)-5-methyl-4-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-oxazole (CID 45191743) is 2-(4-chlorophenyl)-5-methyl-4-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-methyl-4-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-methyl-4-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-oxazole is Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCN(c2ccccc2)CC1C.
What is the InChIKey of 2-(4-chlorophenyl)-5-methyl-4-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-oxazole?
The InChIKey is GHZNPXCTRGYORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O/c1-16-14-26(20-6-4-3-5-7-20)13-12-25(16)15-21-17(2)27-22(24-21)18-8-10-19(23)11-9-18/h3-11,16H,12-15H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-5-methyl-4-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-oxazole?
2-(4-chlorophenyl)-5-methyl-4-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-oxazole has a molecular weight of 381.91 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-methyl-4-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 45191743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).