3-benzyl-4-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperazin-2-one

C23H23N3O5 — CID 24792937

IUPAC3-benzyl-4-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperazin-2-one
SMILESCOc1cccc(OCc2cc(C(=O)N3CCNC(=O)C3Cc3ccccc3)no2)c1
InChIInChI=1S/C23H23N3O5/c1-29-17-8-5-9-18(13-17)30-15-19-14-20(25-31-19)23(28)26-11-10-24-22(27)21(26)12-16-6-3-2-4-7-16/h2-9,13-14,21H,10-12,15H2,1H3,(H,24,27)
InChIKeyQDKPHVOIZWGPNZ-UHFFFAOYSA-N
MW421.45 g/mol
LogP2.45
Rot. Bonds7

About 3-benzyl-4-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperazin-2-one

3-benzyl-4-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperazin-2-one (PubChem CID 24792937) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is 3-benzyl-4-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name3-benzyl-4-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperazin-2-one
PubChem CID24792937
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name3-benzyl-4-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperazin-2-one
SMILESCOc1cccc(OCc2cc(C(=O)N3CCNC(=O)C3Cc3ccccc3)no2)c1
InChIInChI=1S/C23H23N3O5/c1-29-17-8-5-9-18(13-17)30-15-19-14-20(25-31-19)23(28)26-11-10-24-22(27)21(26)12-16-6-3-2-4-7-16/h2-9,13-14,21H,10-12,15H2,1H3,(H,24,27)
InChIKeyQDKPHVOIZWGPNZ-UHFFFAOYSA-N
XLogP2.45
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-benzyl-4-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperazin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperazin-2-one?
The IUPAC name of 3-benzyl-4-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperazin-2-one (CID 24792937) is 3-benzyl-4-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperazin-2-one.
What is the SMILES notation for 3-benzyl-4-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperazin-2-one?
The canonical SMILES for 3-benzyl-4-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperazin-2-one is COc1cccc(OCc2cc(C(=O)N3CCNC(=O)C3Cc3ccccc3)no2)c1.
What is the InChIKey of 3-benzyl-4-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperazin-2-one?
The InChIKey is QDKPHVOIZWGPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-29-17-8-5-9-18(13-17)30-15-19-14-20(25-31-19)23(28)26-11-10-24-22(27)21(26)12-16-6-3-2-4-7-16/h2-9,13-14,21H,10-12,15H2,1H3,(H,24,27).
What are the key properties of 3-benzyl-4-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperazin-2-one?
3-benzyl-4-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperazin-2-one has a molecular weight of 421.45 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 24792937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).