1-[4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-phenoxyethanone

C20H19N3O5 — CID 110328710

IUPAC1-[4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCN(C(=O)c2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C20H19N3O5/c24-19(14-27-15-5-2-1-3-6-15)22-8-10-23(11-9-22)20(25)16-13-18(28-21-16)17-7-4-12-26-17/h1-7,12-13H,8-11,14H2
InChIKeyHRMYNSOWTLFBLK-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.30
Rot. Bonds5

About 1-[4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-phenoxyethanone

1-[4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-phenoxyethanone (PubChem CID 110328710) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is 1-[4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-phenoxyethanone
PubChem CID110328710
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name1-[4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCN(C(=O)c2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C20H19N3O5/c24-19(14-27-15-5-2-1-3-6-15)22-8-10-23(11-9-22)20(25)16-13-18(28-21-16)17-7-4-12-26-17/h1-7,12-13H,8-11,14H2
InChIKeyHRMYNSOWTLFBLK-UHFFFAOYSA-N
XLogP2.30
TPSA89.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-phenoxyethanone with MolForge

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Related Compounds

1-[4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 110645731
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone
CID 167750688
[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 121106998
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334322
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-[3-(2-methoxyphenyl)propyl]piperazin-1-yl]methanone
CID 110356563
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 20906383
(3,5-dimethyl-4-phenylpiperazin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 110616585
1-(azepan-1-yl)-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone
CID 20906381
4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazine-2,6-dione
CID 66083527
1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylic acid
CID 43171030
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406001

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-phenoxyethanone (CID 110328710) is 1-[4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCN(C(=O)c2cc(-c3ccco3)on2)CC1.
What is the InChIKey of 1-[4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-phenoxyethanone?
The InChIKey is HRMYNSOWTLFBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c24-19(14-27-15-5-2-1-3-6-15)22-8-10-23(11-9-22)20(25)16-13-18(28-21-16)17-7-4-12-26-17/h1-7,12-13H,8-11,14H2.
What are the key properties of 1-[4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-phenoxyethanone?
1-[4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-phenoxyethanone has a molecular weight of 381.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 110328710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).