N-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-1,3-oxazole-4-sulfonamide

C10H11N3O4S — CID 170372596

IUPACN-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-1,3-oxazole-4-sulfonamide
SMILESC=C1NC(=O)C2(NS(=O)(=O)c3cocn3)CC1C2
InChIInChI=1S/C10H11N3O4S/c1-6-7-2-10(3-7,9(14)12-6)13-18(15,16)8-4-17-5-11-8/h4-5,7,13H,1-3H2,(H,12,14)
InChIKeyQOHCKHKICLCTAQ-UHFFFAOYSA-N
MW269.28 g/mol
LogP-0.25
Rot. Bonds3

About N-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-1,3-oxazole-4-sulfonamide

N-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-1,3-oxazole-4-sulfonamide (PubChem CID 170372596) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is N-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-1,3-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-1,3-oxazole-4-sulfonamide
PubChem CID170372596
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC NameN-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-1,3-oxazole-4-sulfonamide
SMILESC=C1NC(=O)C2(NS(=O)(=O)c3cocn3)CC1C2
InChIInChI=1S/C10H11N3O4S/c1-6-7-2-10(3-7,9(14)12-6)13-18(15,16)8-4-17-5-11-8/h4-5,7,13H,1-3H2,(H,12,14)
InChIKeyQOHCKHKICLCTAQ-UHFFFAOYSA-N
XLogP-0.25
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-1,3-oxazole-4-sulfonamide?
The IUPAC name of N-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-1,3-oxazole-4-sulfonamide (CID 170372596) is N-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-1,3-oxazole-4-sulfonamide.
What is the SMILES notation for N-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-1,3-oxazole-4-sulfonamide?
The canonical SMILES for N-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-1,3-oxazole-4-sulfonamide is C=C1NC(=O)C2(NS(=O)(=O)c3cocn3)CC1C2.
What is the InChIKey of N-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-1,3-oxazole-4-sulfonamide?
The InChIKey is QOHCKHKICLCTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c1-6-7-2-10(3-7,9(14)12-6)13-18(15,16)8-4-17-5-11-8/h4-5,7,13H,1-3H2,(H,12,14).
What are the key properties of N-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-1,3-oxazole-4-sulfonamide?
N-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-1,3-oxazole-4-sulfonamide has a molecular weight of 269.28 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-1,3-oxazole-4-sulfonamide is sourced from PubChem (CID 170372596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).