(4-benzylpiperazin-1-yl)-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone

C23H25N3O4 — CID 3245190

IUPAC(4-benzylpiperazin-1-yl)-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)no2)cc1OC
InChIInChI=1S/C23H25N3O4/c1-28-20-9-8-18(14-22(20)29-2)21-15-19(24-30-21)23(27)26-12-10-25(11-13-26)16-17-6-4-3-5-7-17/h3-9,14-15H,10-13,16H2,1-2H3
InChIKeyIOYFKLXSLFLPPW-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.32
Rot. Bonds6

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

(4-benzylpiperazin-1-yl)-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone (PubChem CID 3245190) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone
PubChem CID3245190
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name(4-benzylpiperazin-1-yl)-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)no2)cc1OC
InChIInChI=1S/C23H25N3O4/c1-28-20-9-8-18(14-22(20)29-2)21-15-19(24-30-21)23(27)26-12-10-25(11-13-26)16-17-6-4-3-5-7-17/h3-9,14-15H,10-13,16H2,1-2H3
InChIKeyIOYFKLXSLFLPPW-UHFFFAOYSA-N
XLogP3.32
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone (CID 3245190) is (4-benzylpiperazin-1-yl)-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone is COc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)no2)cc1OC.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is IOYFKLXSLFLPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-28-20-9-8-18(14-22(20)29-2)21-15-19(24-30-21)23(27)26-12-10-25(11-13-26)16-17-6-4-3-5-7-17/h3-9,14-15H,10-13,16H2,1-2H3.
What are the key properties of (4-benzylpiperazin-1-yl)-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone?
(4-benzylpiperazin-1-yl)-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 407.47 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 3245190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).