3-(3-fluorophenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole

C22H24FN3O2 — CID 146405224

IUPAC3-(3-fluorophenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCOc1ccccc1N1CCN(Cc2c(-c3cccc(F)c3)noc2C)CC1
InChIInChI=1S/C22H24FN3O2/c1-16-19(22(24-28-16)17-6-5-7-18(23)14-17)15-25-10-12-26(13-11-25)20-8-3-4-9-21(20)27-2/h3-9,14H,10-13,15H2,1-2H3
InChIKeyOEPAPHUXCPDJQJ-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.12
Rot. Bonds5

About 3-(3-fluorophenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole

3-(3-fluorophenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 146405224) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-(3-fluorophenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID146405224
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name3-(3-fluorophenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCOc1ccccc1N1CCN(Cc2c(-c3cccc(F)c3)noc2C)CC1
InChIInChI=1S/C22H24FN3O2/c1-16-19(22(24-28-16)17-6-5-7-18(23)14-17)15-25-10-12-26(13-11-25)20-8-3-4-9-21(20)27-2/h3-9,14H,10-13,15H2,1-2H3
InChIKeyOEPAPHUXCPDJQJ-UHFFFAOYSA-N
XLogP4.12
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 66576862
4-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-3-(3-fluorophenyl)-5-methyl-1,2-oxazole;hydrochloride
CID 146405230
1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 792533
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 1318256
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 46689292
3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 71821709
2-(4-fluorophenyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 17391401
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 8687109
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 32655601
1-(2-methoxyphenyl)-4-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperazine
CID 14198545
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 4826311
N-[[2-(3-fluorophenyl)phenyl]methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide
CID 72550200

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-(3-fluorophenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (CID 146405224) is 3-(3-fluorophenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-(3-fluorophenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-(3-fluorophenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is COc1ccccc1N1CCN(Cc2c(-c3cccc(F)c3)noc2C)CC1.
What is the InChIKey of 3-(3-fluorophenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is OEPAPHUXCPDJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-16-19(22(24-28-16)17-6-5-7-18(23)14-17)15-25-10-12-26(13-11-25)20-8-3-4-9-21(20)27-2/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 3-(3-fluorophenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
3-(3-fluorophenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 381.45 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 146405224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).