4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2,3-dimethyl-1,2-oxazol-5-one

C15H17N3O5 — CID 110681004

IUPAC4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2,3-dimethyl-1,2-oxazol-5-one
SMILESCc1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c(=O)on1C
InChIInChI=1S/C15H17N3O5/c1-10-12(15(21)23-16(10)2)14(20)18-7-5-17(6-8-18)13(19)11-4-3-9-22-11/h3-4,9H,5-8H2,1-2H3
InChIKeyBIRSCSOPLDHWNR-UHFFFAOYSA-N
MW319.32 g/mol
LogP0.48
Rot. Bonds2

About 4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2,3-dimethyl-1,2-oxazol-5-one

4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2,3-dimethyl-1,2-oxazol-5-one (PubChem CID 110681004) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is 4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2,3-dimethyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2,3-dimethyl-1,2-oxazol-5-one
PubChem CID110681004
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Name4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2,3-dimethyl-1,2-oxazol-5-one
SMILESCc1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c(=O)on1C
InChIInChI=1S/C15H17N3O5/c1-10-12(15(21)23-16(10)2)14(20)18-7-5-17(6-8-18)13(19)11-4-3-9-22-11/h3-4,9H,5-8H2,1-2H3
InChIKeyBIRSCSOPLDHWNR-UHFFFAOYSA-N
XLogP0.48
TPSA88.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110801875
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 7342085
azepan-1-yl(furan-2-yl)methanone
CID 5200992
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 844559
furan-2-yl-[4-(2-methoxy-4,6-dimethylbenzoyl)piperazin-1-yl]methanone
CID 110764965
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958407
[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911085
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
(4-cyclopropylidenepiperidin-1-yl)-(furan-2-yl)methanone
CID 121184150
furan-2-yl(thiomorpholin-4-yl)methanone
CID 2804982
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314

Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2,3-dimethyl-1,2-oxazol-5-one?
The IUPAC name of 4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2,3-dimethyl-1,2-oxazol-5-one (CID 110681004) is 4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2,3-dimethyl-1,2-oxazol-5-one.
What is the SMILES notation for 4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2,3-dimethyl-1,2-oxazol-5-one?
The canonical SMILES for 4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2,3-dimethyl-1,2-oxazol-5-one is Cc1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c(=O)on1C.
What is the InChIKey of 4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2,3-dimethyl-1,2-oxazol-5-one?
The InChIKey is BIRSCSOPLDHWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5/c1-10-12(15(21)23-16(10)2)14(20)18-7-5-17(6-8-18)13(19)11-4-3-9-22-11/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2,3-dimethyl-1,2-oxazol-5-one?
4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2,3-dimethyl-1,2-oxazol-5-one has a molecular weight of 319.32 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2,3-dimethyl-1,2-oxazol-5-one is sourced from PubChem (CID 110681004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).