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

C23H25N3O4 — CID 72736710

IUPAC[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(3-methyl-4-phenyl-1,2-oxazol-5-yl)methanone
SMILESCOc1cc(OC)cc(N2CCN(C(=O)c3onc(C)c3-c3ccccc3)CC2)c1
InChIInChI=1S/C23H25N3O4/c1-16-21(17-7-5-4-6-8-17)22(30-24-16)23(27)26-11-9-25(10-12-26)18-13-19(28-2)15-20(14-18)29-3/h4-8,13-15H,9-12H2,1-3H3
InChIKeyYJFRFRFYCXMKHI-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.63
Rot. Bonds5

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

[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(3-methyl-4-phenyl-1,2-oxazol-5-yl)methanone (PubChem CID 72736710) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(3-methyl-4-phenyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(3-methyl-4-phenyl-1,2-oxazol-5-yl)methanone
PubChem CID72736710
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(3-methyl-4-phenyl-1,2-oxazol-5-yl)methanone
SMILESCOc1cc(OC)cc(N2CCN(C(=O)c3onc(C)c3-c3ccccc3)CC2)c1
InChIInChI=1S/C23H25N3O4/c1-16-21(17-7-5-4-6-8-17)22(30-24-16)23(27)26-11-9-25(10-12-26)18-13-19(28-2)15-20(14-18)29-3/h4-8,13-15H,9-12H2,1-3H3
InChIKeyYJFRFRFYCXMKHI-UHFFFAOYSA-N
XLogP3.63
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(R)-6-(3,5-dimethylisoxazol-4-yl)-4-(4-methoxybenzyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2(1H)-one (8)
CID 122164732
[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]-[4-(2-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone
CID 72736711
[4-(3,5-Dimethoxyphenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone
CID 72736712
[4-(2-Methoxy-phenyl)-piperazin-1-yl]-(5-phenyl-isoxazol-3-yl)-methanone
CID 1093741
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
2-(3-acetyl-2-methyl-5-phenyl-1H-pyrrol-1-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 3461826

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(3-methyl-4-phenyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(3-methyl-4-phenyl-1,2-oxazol-5-yl)methanone (CID 72736710) is [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(3-methyl-4-phenyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(3-methyl-4-phenyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(3-methyl-4-phenyl-1,2-oxazol-5-yl)methanone is COc1cc(OC)cc(N2CCN(C(=O)c3onc(C)c3-c3ccccc3)CC2)c1.
What is the InChIKey of [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(3-methyl-4-phenyl-1,2-oxazol-5-yl)methanone?
The InChIKey is YJFRFRFYCXMKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-16-21(17-7-5-4-6-8-17)22(30-24-16)23(27)26-11-9-25(10-12-26)18-13-19(28-2)15-20(14-18)29-3/h4-8,13-15H,9-12H2,1-3H3.
What are the key properties of [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(3-methyl-4-phenyl-1,2-oxazol-5-yl)methanone?
[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(3-methyl-4-phenyl-1,2-oxazol-5-yl)methanone has a molecular weight of 407.47 g/mol, XLogP of 3.63, 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]-(3-methyl-4-phenyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 72736710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).