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

C22H22FN3O3 — CID 66576862

IUPAC[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2c(-c3cccc(F)c3)noc2C)CC1
InChIInChI=1S/C22H22FN3O3/c1-15-20(21(24-29-15)16-6-5-7-17(23)14-16)22(27)26-12-10-25(11-13-26)18-8-3-4-9-19(18)28-2/h3-9,14H,10-13H2,1-2H3
InChIKeyJLSSLUGYEMZPLI-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.76
Rot. Bonds4

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

[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 66576862) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is [3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID66576862
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2c(-c3cccc(F)c3)noc2C)CC1
InChIInChI=1S/C22H22FN3O3/c1-15-20(21(24-29-15)16-6-5-7-17(23)14-16)22(27)26-12-10-25(11-13-26)18-8-3-4-9-19(18)28-2/h3-9,14H,10-13H2,1-2H3
InChIKeyJLSSLUGYEMZPLI-UHFFFAOYSA-N
XLogP3.76
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 2741374
[4-(2-methoxyphenyl)piperazin-1-yl]-[5-methyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone
CID 66576701
3-(3-fluorophenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 146405224
[5-amino-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 70982322
3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 71821709
[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone
CID 151214922
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 9467999
(2-bromo-4-fluorophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9033985
[4-(2-fluorophenyl)piperazin-1-yl]-[5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanone
CID 66575832
[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 66575828
(3,4-difluorophenyl)-[4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]methanone
CID 46413276
4-amino-5-chloro-2-[4-[3-(3-methoxyphenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl]benzonitrile
CID 174687284

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 66576862) is [3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2c(-c3cccc(F)c3)noc2C)CC1.
What is the InChIKey of [3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is JLSSLUGYEMZPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-15-20(21(24-29-15)16-6-5-7-17(23)14-16)22(27)26-12-10-25(11-13-26)18-8-3-4-9-19(18)28-2/h3-9,14H,10-13H2,1-2H3.
What are the key properties of [3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 395.43 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 66576862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).