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

C18H23N5O4 — CID 167750688

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone
SMILESCN1CCN(C(=O)N2CCN(C(=O)c3cc(-c4ccco4)on3)CC2)CC1
InChIInChI=1S/C18H23N5O4/c1-20-4-6-22(7-5-20)18(25)23-10-8-21(9-11-23)17(24)14-13-16(27-19-14)15-3-2-12-26-15/h2-3,12-13H,4-11H2,1H3
InChIKeyVOUVUIWJVDGWMV-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.06
Rot. Bonds2

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

[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone (PubChem CID 167750688) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone
PubChem CID167750688
Molecular FormulaC18H23N5O4
Molecular Weight373.41 g/mol
Exact Mass373.18
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone
SMILESCN1CCN(C(=O)N2CCN(C(=O)c3cc(-c4ccco4)on3)CC2)CC1
InChIInChI=1S/C18H23N5O4/c1-20-4-6-22(7-5-20)18(25)23-10-8-21(9-11-23)17(24)14-13-16(27-19-14)15-3-2-12-26-15/h2-3,12-13H,4-11H2,1H3
InChIKeyVOUVUIWJVDGWMV-UHFFFAOYSA-N
XLogP1.06
TPSA86.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

[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-hydroxy-4-methylazepan-1-yl)methanone
CID 107406001
1-[4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-phenoxyethanone
CID 110328710
[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 122342638
4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazine-2,6-dione
CID 66083527
[5-(furan-2-yl)-1,2-oxazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565526
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 24665275
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584589
(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 90537302
(3,5-dimethyl-4-phenylpiperazin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 110616585
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493226
(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;hydrochloride
CID 120818638

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone (CID 167750688) is [5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone is CN1CCN(C(=O)N2CCN(C(=O)c3cc(-c4ccco4)on3)CC2)CC1.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone?
The InChIKey is VOUVUIWJVDGWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4/c1-20-4-6-22(7-5-20)18(25)23-10-8-21(9-11-23)17(24)14-13-16(27-19-14)15-3-2-12-26-15/h2-3,12-13H,4-11H2,1H3.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone?
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone has a molecular weight of 373.41 g/mol, XLogP of 1.06, 2 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-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 167750688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).