8-oxa-5-azaspiro[3.5]nonan-5-yl-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone

C15H16N2O3S — CID 99696400

IUPAC8-oxa-5-azaspiro[3.5]nonan-5-yl-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone
SMILESO=C(c1ccc2[nH]c(=S)oc2c1)N1CCOCC12CCC2
InChIInChI=1S/C15H16N2O3S/c18-13(17-6-7-19-9-15(17)4-1-5-15)10-2-3-11-12(8-10)20-14(21)16-11/h2-3,8H,1,4-7,9H2,(H,16,21)
InChIKeyLFNCBDGTVJRKFP-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.89
Rot. Bonds1

About 8-oxa-5-azaspiro[3.5]nonan-5-yl-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone

8-oxa-5-azaspiro[3.5]nonan-5-yl-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone (PubChem CID 99696400) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 8-oxa-5-azaspiro[3.5]nonan-5-yl-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone.

Molecular Properties

Compound Name8-oxa-5-azaspiro[3.5]nonan-5-yl-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone
PubChem CID99696400
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name8-oxa-5-azaspiro[3.5]nonan-5-yl-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone
SMILESO=C(c1ccc2[nH]c(=S)oc2c1)N1CCOCC12CCC2
InChIInChI=1S/C15H16N2O3S/c18-13(17-6-7-19-9-15(17)4-1-5-15)10-2-3-11-12(8-10)20-14(21)16-11/h2-3,8H,1,4-7,9H2,(H,16,21)
InChIKeyLFNCBDGTVJRKFP-UHFFFAOYSA-N
XLogP2.89
TPSA58.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 8-oxa-5-azaspiro[3.5]nonan-5-yl-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-oxa-5-azaspiro[3.5]nonan-5-yl-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone?
The IUPAC name of 8-oxa-5-azaspiro[3.5]nonan-5-yl-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone (CID 99696400) is 8-oxa-5-azaspiro[3.5]nonan-5-yl-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone.
What is the SMILES notation for 8-oxa-5-azaspiro[3.5]nonan-5-yl-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone?
The canonical SMILES for 8-oxa-5-azaspiro[3.5]nonan-5-yl-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone is O=C(c1ccc2[nH]c(=S)oc2c1)N1CCOCC12CCC2.
What is the InChIKey of 8-oxa-5-azaspiro[3.5]nonan-5-yl-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone?
The InChIKey is LFNCBDGTVJRKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c18-13(17-6-7-19-9-15(17)4-1-5-15)10-2-3-11-12(8-10)20-14(21)16-11/h2-3,8H,1,4-7,9H2,(H,16,21).
What are the key properties of 8-oxa-5-azaspiro[3.5]nonan-5-yl-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone?
8-oxa-5-azaspiro[3.5]nonan-5-yl-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone has a molecular weight of 304.37 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-5-azaspiro[3.5]nonan-5-yl-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone is sourced from PubChem (CID 99696400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).