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

C23H24FN3O4 — CID 72736712

IUPAC[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone
SMILESCOc1cc(OC)cc(N2CCN(C(=O)c3onc(C)c3-c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C23H24FN3O4/c1-15-21(16-4-6-17(24)7-5-16)22(31-25-15)23(28)27-10-8-26(9-11-27)18-12-19(29-2)14-20(13-18)30-3/h4-7,12-14H,8-11H2,1-3H3
InChIKeyWSKRCYBIYXANLO-UHFFFAOYSA-N
MW425.46 g/mol
LogP3.77
Rot. Bonds5

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

[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone (PubChem CID 72736712) has the molecular formula C23H24FN3O4 and a molecular weight of 425.46 g/mol. Its IUPAC name is [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone
PubChem CID72736712
Molecular FormulaC23H24FN3O4
Molecular Weight425.46 g/mol
Exact Mass425.18
IUPAC Name[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone
SMILESCOc1cc(OC)cc(N2CCN(C(=O)c3onc(C)c3-c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C23H24FN3O4/c1-15-21(16-4-6-17(24)7-5-16)22(31-25-15)23(28)27-10-8-26(9-11-27)18-12-19(29-2)14-20(13-18)30-3/h4-7,12-14H,8-11H2,1-3H3
InChIKeyWSKRCYBIYXANLO-UHFFFAOYSA-N
XLogP3.77
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

[4-(3,5-Dimethoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
CID 71511354
[4-(3,5-Dimethoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone
CID 71511564
[4-(3,5-Dimethoxyphenyl)piperazin-1-yl]-[4-(3-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone
CID 71511565
[4-(3,5-Dimethoxyphenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone
CID 71511566
[4-(3,5-Dimethoxyphenyl)piperazin-1-yl]-[4-(3-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone
CID 71511568
[4-(3,5-Dimethoxyphenyl)piperazin-1-yl]-(3-methyl-4-phenyl-1,2-oxazol-5-yl)methanone
CID 72736710
[4-(3,5-Dimethoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone
CID 72736711
Isoxazole-5-carboxylic acid [cyclohexylcarbamoyl-(3,5-dimethoxy-phenyl)-methyl]-phenyl-amide
CID 3207863
1-(4-Fluorophenyl)-4-{[5-(2-methoxyphenyl)isoxazol-3-yl]carbonyl}piperazine
CID 3245614
1-{[5-(4-Methoxyphenyl)-3-isoxazolyl]carbonyl}-4-phenylpiperazine
CID 15988658
5-(4-Fluorophenyl)isoxazol-3-yl 4-(2-methoxyphenyl)piperazinyl ketone
CID 15988797
(3-Fluoro-4-methoxyphenyl){1-[(3-isopropylisoxazol-5-yl)carbonyl]piperidin-3-yl}methanone
CID 16191559

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone?
The IUPAC name of [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone (CID 72736712) is [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone?
The canonical SMILES for [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone is COc1cc(OC)cc(N2CCN(C(=O)c3onc(C)c3-c3ccc(F)cc3)CC2)c1.
What is the InChIKey of [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone?
The InChIKey is WSKRCYBIYXANLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4/c1-15-21(16-4-6-17(24)7-5-16)22(31-25-15)23(28)27-10-8-26(9-11-27)18-12-19(29-2)14-20(13-18)30-3/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone?
[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone has a molecular weight of 425.46 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 72736712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).