(5-cyclopropyl-1,2-oxazol-3-yl)-[(7R)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone

C15H20N2O3S — CID 124828294

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-[(7R)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCCO[C@H]1CSC2(C1)CN(C(=O)c1cc(C3CC3)on1)C2
InChIInChI=1S/C15H20N2O3S/c1-2-19-11-6-15(21-7-11)8-17(9-15)14(18)12-5-13(20-16-12)10-3-4-10/h5,10-11H,2-4,6-9H2,1H3/t11-/m1/s1
InChIKeyJAJMGDICHVRGDD-LLVKDONJSA-N
MW308.40 g/mol
LogP2.29
Rot. Bonds4

About (5-cyclopropyl-1,2-oxazol-3-yl)-[(7R)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone

(5-cyclopropyl-1,2-oxazol-3-yl)-[(7R)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 124828294) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-[(7R)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-[(7R)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
PubChem CID124828294
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-[(7R)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCCO[C@H]1CSC2(C1)CN(C(=O)c1cc(C3CC3)on1)C2
InChIInChI=1S/C15H20N2O3S/c1-2-19-11-6-15(21-7-11)8-17(9-15)14(18)12-5-13(20-16-12)10-3-4-10/h5,10-11H,2-4,6-9H2,1H3/t11-/m1/s1
InChIKeyJAJMGDICHVRGDD-LLVKDONJSA-N
XLogP2.29
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[(7R)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[(7R)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone (CID 124828294) is (5-cyclopropyl-1,2-oxazol-3-yl)-[(7R)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-[(7R)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-[(7R)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone is CCO[C@H]1CSC2(C1)CN(C(=O)c1cc(C3CC3)on1)C2.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-[(7R)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?
The InChIKey is JAJMGDICHVRGDD-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-2-19-11-6-15(21-7-11)8-17(9-15)14(18)12-5-13(20-16-12)10-3-4-10/h5,10-11H,2-4,6-9H2,1H3/t11-/m1/s1.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-[(7R)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-[(7R)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 308.40 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-[(7R)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 124828294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).