2-(1,2-oxazol-3-yl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylacetamide

C17H18N2O3 — CID 71853911

IUPAC2-(1,2-oxazol-3-yl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylacetamide
SMILESO=C(Cc1ccon1)NC1CC2(CCC2)Oc2ccccc21
InChIInChI=1S/C17H18N2O3/c20-16(10-12-6-9-21-19-12)18-14-11-17(7-3-8-17)22-15-5-2-1-4-13(14)15/h1-2,4-6,9,14H,3,7-8,10-11H2,(H,18,20)
InChIKeyJBXPOMVOHSNTBL-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.78
Rot. Bonds3

About 2-(1,2-oxazol-3-yl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylacetamide

2-(1,2-oxazol-3-yl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylacetamide (PubChem CID 71853911) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-(1,2-oxazol-3-yl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylacetamide.

Molecular Properties

Compound Name2-(1,2-oxazol-3-yl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylacetamide
PubChem CID71853911
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-(1,2-oxazol-3-yl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylacetamide
SMILESO=C(Cc1ccon1)NC1CC2(CCC2)Oc2ccccc21
InChIInChI=1S/C17H18N2O3/c20-16(10-12-6-9-21-19-12)18-14-11-17(7-3-8-17)22-15-5-2-1-4-13(14)15/h1-2,4-6,9,14H,3,7-8,10-11H2,(H,18,20)
InChIKeyJBXPOMVOHSNTBL-UHFFFAOYSA-N
XLogP2.78
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-3-yl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylacetamide?
The IUPAC name of 2-(1,2-oxazol-3-yl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylacetamide (CID 71853911) is 2-(1,2-oxazol-3-yl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylacetamide.
What is the SMILES notation for 2-(1,2-oxazol-3-yl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylacetamide?
The canonical SMILES for 2-(1,2-oxazol-3-yl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylacetamide is O=C(Cc1ccon1)NC1CC2(CCC2)Oc2ccccc21.
What is the InChIKey of 2-(1,2-oxazol-3-yl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylacetamide?
The InChIKey is JBXPOMVOHSNTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-16(10-12-6-9-21-19-12)18-14-11-17(7-3-8-17)22-15-5-2-1-4-13(14)15/h1-2,4-6,9,14H,3,7-8,10-11H2,(H,18,20).
What are the key properties of 2-(1,2-oxazol-3-yl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylacetamide?
2-(1,2-oxazol-3-yl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylacetamide has a molecular weight of 298.34 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-3-yl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylacetamide is sourced from PubChem (CID 71853911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).