3-[(2S)-butan-2-yl]-N-[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]-1,2-oxazole-5-carboxamide

C17H24N2O3 — CID 124777466

IUPAC3-[(2S)-butan-2-yl]-N-[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]-1,2-oxazole-5-carboxamide
SMILESCC[C@H](C)c1cc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)on1
InChIInChI=1S/C17H24N2O3/c1-3-10(2)12-9-13(22-19-12)16(20)18-14-11-5-8-21-15(11)17(14)6-4-7-17/h9-11,14-15H,3-8H2,1-2H3,(H,18,20)/t10-,11+,14+,15-/m0/s1
InChIKeyQBXFIZWKUOYSPD-DRABBMOASA-N
MW304.39 g/mol
LogP2.88
Rot. Bonds4

About 3-[(2S)-butan-2-yl]-N-[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]-1,2-oxazole-5-carboxamide

3-[(2S)-butan-2-yl]-N-[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]-1,2-oxazole-5-carboxamide (PubChem CID 124777466) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[(2S)-butan-2-yl]-N-[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[(2S)-butan-2-yl]-N-[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]-1,2-oxazole-5-carboxamide
PubChem CID124777466
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-[(2S)-butan-2-yl]-N-[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]-1,2-oxazole-5-carboxamide
SMILESCC[C@H](C)c1cc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)on1
InChIInChI=1S/C17H24N2O3/c1-3-10(2)12-9-13(22-19-12)16(20)18-14-11-5-8-21-15(11)17(14)6-4-7-17/h9-11,14-15H,3-8H2,1-2H3,(H,18,20)/t10-,11+,14+,15-/m0/s1
InChIKeyQBXFIZWKUOYSPD-DRABBMOASA-N
XLogP2.88
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-butan-2-yl]-N-[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[(2S)-butan-2-yl]-N-[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]-1,2-oxazole-5-carboxamide (CID 124777466) is 3-[(2S)-butan-2-yl]-N-[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[(2S)-butan-2-yl]-N-[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[(2S)-butan-2-yl]-N-[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]-1,2-oxazole-5-carboxamide is CC[C@H](C)c1cc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)on1.
What is the InChIKey of 3-[(2S)-butan-2-yl]-N-[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is QBXFIZWKUOYSPD-DRABBMOASA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-10(2)12-9-13(22-19-12)16(20)18-14-11-5-8-21-15(11)17(14)6-4-7-17/h9-11,14-15H,3-8H2,1-2H3,(H,18,20)/t10-,11+,14+,15-/m0/s1.
What are the key properties of 3-[(2S)-butan-2-yl]-N-[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]-1,2-oxazole-5-carboxamide?
3-[(2S)-butan-2-yl]-N-[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-butan-2-yl]-N-[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 124777466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).