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

C23H24FN3O4 — CID 71511568

IUPAC[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(3-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone
SMILESCOc1cc(OC)cc(N2CCN(C(=O)c3onc(C)c3-c3cccc(F)c3)CC2)c1
InChIInChI=1S/C23H24FN3O4/c1-15-21(16-5-4-6-17(24)11-16)22(31-25-15)23(28)27-9-7-26(8-10-27)18-12-19(29-2)14-20(13-18)30-3/h4-6,11-14H,7-10H2,1-3H3
InChIKeyISZHDWOFLNSGSV-UHFFFAOYSA-N
MW425.46 g/mol
LogP3.77
Rot. Bonds5

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

[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(3-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone (PubChem CID 71511568) 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-(3-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(3-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone
PubChem CID71511568
Molecular FormulaC23H24FN3O4
Molecular Weight425.46 g/mol
Exact Mass425.18
IUPAC Name[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(3-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone
SMILESCOc1cc(OC)cc(N2CCN(C(=O)c3onc(C)c3-c3cccc(F)c3)CC2)c1
InChIInChI=1S/C23H24FN3O4/c1-15-21(16-5-4-6-17(24)11-16)22(31-25-15)23(28)27-9-7-26(8-10-27)18-12-19(29-2)14-20(13-18)30-3/h4-6,11-14H,7-10H2,1-3H3
InChIKeyISZHDWOFLNSGSV-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

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Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(3-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone?
The IUPAC name of [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(3-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone (CID 71511568) is [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(3-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(3-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone?
The canonical SMILES for [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(3-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone is COc1cc(OC)cc(N2CCN(C(=O)c3onc(C)c3-c3cccc(F)c3)CC2)c1.
What is the InChIKey of [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(3-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone?
The InChIKey is ISZHDWOFLNSGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4/c1-15-21(16-5-4-6-17(24)11-16)22(31-25-15)23(28)27-9-7-26(8-10-27)18-12-19(29-2)14-20(13-18)30-3/h4-6,11-14H,7-10H2,1-3H3.
What are the key properties of [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(3-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone?
[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(3-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-(3-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 71511568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).