[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-[3-(2-methoxyphenyl)propyl]piperazin-1-yl]methanone

C22H25N3O4 — CID 110356563

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-[3-(2-methoxyphenyl)propyl]piperazin-1-yl]methanone
SMILESCOc1ccccc1CCCN1CCN(C(=O)c2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C22H25N3O4/c1-27-19-8-3-2-6-17(19)7-4-10-24-11-13-25(14-12-24)22(26)18-16-21(29-23-18)20-9-5-15-28-20/h2-3,5-6,8-9,15-16H,4,7,10-14H2,1H3
InChIKeyDNHUONRBJUNUQJ-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.33
Rot. Bonds7

About [5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-[3-(2-methoxyphenyl)propyl]piperazin-1-yl]methanone

[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-[3-(2-methoxyphenyl)propyl]piperazin-1-yl]methanone (PubChem CID 110356563) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-[3-(2-methoxyphenyl)propyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-[3-(2-methoxyphenyl)propyl]piperazin-1-yl]methanone
PubChem CID110356563
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-[3-(2-methoxyphenyl)propyl]piperazin-1-yl]methanone
SMILESCOc1ccccc1CCCN1CCN(C(=O)c2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C22H25N3O4/c1-27-19-8-3-2-6-17(19)7-4-10-24-11-13-25(14-12-24)22(26)18-16-21(29-23-18)20-9-5-15-28-20/h2-3,5-6,8-9,15-16H,4,7,10-14H2,1H3
InChIKeyDNHUONRBJUNUQJ-UHFFFAOYSA-N
XLogP3.33
TPSA71.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-[3-(2-methoxyphenyl)propyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone
CID 167750688
1-[4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-phenoxyethanone
CID 110328710
N,N-diethyl-4-[3-(2-methoxyphenyl)propyl]piperazine-1-carboxamide
CID 110358210
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334322
(3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 110608362
[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 121106998
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 109021977
[4-[3-(3-fluoro-4-methoxyphenyl)propyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 86804160
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 112844802
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406001
[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-[4-(3,3-dimethylbutyl)piperazin-1-yl]methanone
CID 49025532
5-(furan-2-yl)-N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-3-carboxamide
CID 110302814

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-[3-(2-methoxyphenyl)propyl]piperazin-1-yl]methanone?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-[3-(2-methoxyphenyl)propyl]piperazin-1-yl]methanone (CID 110356563) is [5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-[3-(2-methoxyphenyl)propyl]piperazin-1-yl]methanone.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-[3-(2-methoxyphenyl)propyl]piperazin-1-yl]methanone?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-[3-(2-methoxyphenyl)propyl]piperazin-1-yl]methanone is COc1ccccc1CCCN1CCN(C(=O)c2cc(-c3ccco3)on2)CC1.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-[3-(2-methoxyphenyl)propyl]piperazin-1-yl]methanone?
The InChIKey is DNHUONRBJUNUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-27-19-8-3-2-6-17(19)7-4-10-24-11-13-25(14-12-24)22(26)18-16-21(29-23-18)20-9-5-15-28-20/h2-3,5-6,8-9,15-16H,4,7,10-14H2,1H3.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-[3-(2-methoxyphenyl)propyl]piperazin-1-yl]methanone?
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-[3-(2-methoxyphenyl)propyl]piperazin-1-yl]methanone has a molecular weight of 395.46 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-[3-(2-methoxyphenyl)propyl]piperazin-1-yl]methanone is sourced from PubChem (CID 110356563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).