1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea

C16H24N4O3 — CID 75388426

IUPAC1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea
SMILESCCC(NC(=O)NC1C2CCOC2C12CCC2)c1noc(C)n1
InChIInChI=1S/C16H24N4O3/c1-3-11(14-17-9(2)23-20-14)18-15(21)19-12-10-5-8-22-13(10)16(12)6-4-7-16/h10-13H,3-8H2,1-2H3,(H2,18,19,21)
InChIKeyZGUWARKWFLGSAO-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.09
Rot. Bonds4

About 1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea

1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea (PubChem CID 75388426) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea.

Molecular Properties

Compound Name1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea
PubChem CID75388426
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea
SMILESCCC(NC(=O)NC1C2CCOC2C12CCC2)c1noc(C)n1
InChIInChI=1S/C16H24N4O3/c1-3-11(14-17-9(2)23-20-14)18-15(21)19-12-10-5-8-22-13(10)16(12)6-4-7-16/h10-13H,3-8H2,1-2H3,(H2,18,19,21)
InChIKeyZGUWARKWFLGSAO-UHFFFAOYSA-N
XLogP2.09
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea?
The IUPAC name of 1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea (CID 75388426) is 1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea.
What is the SMILES notation for 1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea?
The canonical SMILES for 1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea is CCC(NC(=O)NC1C2CCOC2C12CCC2)c1noc(C)n1.
What is the InChIKey of 1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea?
The InChIKey is ZGUWARKWFLGSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-3-11(14-17-9(2)23-20-14)18-15(21)19-12-10-5-8-22-13(10)16(12)6-4-7-16/h10-13H,3-8H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea?
1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea has a molecular weight of 320.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea is sourced from PubChem (CID 75388426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).