1-methyl-5-[3-(3-propan-2-ylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one

C14H18N4O3 — CID 136570428

IUPAC1-methyl-5-[3-(3-propan-2-ylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
SMILESCC(C)c1ccoc1-c1noc(C2CN(C)C(=O)CN2)n1
InChIInChI=1S/C14H18N4O3/c1-8(2)9-4-5-20-12(9)13-16-14(21-17-13)10-7-18(3)11(19)6-15-10/h4-5,8,10,15H,6-7H2,1-3H3
InChIKeyJSMJHBJUEMYSPW-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.56
Rot. Bonds3

About 1-methyl-5-[3-(3-propan-2-ylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one

1-methyl-5-[3-(3-propan-2-ylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one (PubChem CID 136570428) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-methyl-5-[3-(3-propan-2-ylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one.

Molecular Properties

Compound Name1-methyl-5-[3-(3-propan-2-ylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
PubChem CID136570428
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name1-methyl-5-[3-(3-propan-2-ylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
SMILESCC(C)c1ccoc1-c1noc(C2CN(C)C(=O)CN2)n1
InChIInChI=1S/C14H18N4O3/c1-8(2)9-4-5-20-12(9)13-16-14(21-17-13)10-7-18(3)11(19)6-15-10/h4-5,8,10,15H,6-7H2,1-3H3
InChIKeyJSMJHBJUEMYSPW-UHFFFAOYSA-N
XLogP1.56
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[3-(3-propan-2-ylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The IUPAC name of 1-methyl-5-[3-(3-propan-2-ylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one (CID 136570428) is 1-methyl-5-[3-(3-propan-2-ylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one.
What is the SMILES notation for 1-methyl-5-[3-(3-propan-2-ylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The canonical SMILES for 1-methyl-5-[3-(3-propan-2-ylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one is CC(C)c1ccoc1-c1noc(C2CN(C)C(=O)CN2)n1.
What is the InChIKey of 1-methyl-5-[3-(3-propan-2-ylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The InChIKey is JSMJHBJUEMYSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-8(2)9-4-5-20-12(9)13-16-14(21-17-13)10-7-18(3)11(19)6-15-10/h4-5,8,10,15H,6-7H2,1-3H3.
What are the key properties of 1-methyl-5-[3-(3-propan-2-ylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
1-methyl-5-[3-(3-propan-2-ylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one has a molecular weight of 290.32 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[3-(3-propan-2-ylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one is sourced from PubChem (CID 136570428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).