4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one

C15H19N3O3 — CID 30957293

IUPAC4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one
SMILESCc1oc(-c2ccoc2)nc1CN1CCNC(=O)C1(C)C
InChIInChI=1S/C15H19N3O3/c1-10-12(17-13(21-10)11-4-7-20-9-11)8-18-6-5-16-14(19)15(18,2)3/h4,7,9H,5-6,8H2,1-3H3,(H,16,19)
InChIKeyGXCPKIJYLWOYKJ-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.95
Rot. Bonds3

About 4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one

4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one (PubChem CID 30957293) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one
PubChem CID30957293
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one
SMILESCc1oc(-c2ccoc2)nc1CN1CCNC(=O)C1(C)C
InChIInChI=1S/C15H19N3O3/c1-10-12(17-13(21-10)11-4-7-20-9-11)8-18-6-5-16-14(19)15(18,2)3/h4,7,9H,5-6,8H2,1-3H3,(H,16,19)
InChIKeyGXCPKIJYLWOYKJ-UHFFFAOYSA-N
XLogP1.95
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one (CID 30957293) is 4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one is Cc1oc(-c2ccoc2)nc1CN1CCNC(=O)C1(C)C.
What is the InChIKey of 4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is GXCPKIJYLWOYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-12(17-13(21-10)11-4-7-20-9-11)8-18-6-5-16-14(19)15(18,2)3/h4,7,9H,5-6,8H2,1-3H3,(H,16,19).
What are the key properties of 4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one?
4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 289.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 30957293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).