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

C17H22N2O3S — CID 124793702

IUPAC[(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(C2CC2)on1)N1CC2(C[C@H](OCC3CC3)CS2)C1
InChIInChI=1S/C17H22N2O3S/c20-16(14-5-15(22-18-14)12-3-4-12)19-9-17(10-19)6-13(8-23-17)21-7-11-1-2-11/h5,11-13H,1-4,6-10H2/t13-/m0/s1
InChIKeyOPUHPAACVRDKCP-ZDUSSCGKSA-N
MW334.44 g/mol
LogP2.68
Rot. Bonds5

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

[(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone (PubChem CID 124793702) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is [(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
PubChem CID124793702
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name[(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(C2CC2)on1)N1CC2(C[C@H](OCC3CC3)CS2)C1
InChIInChI=1S/C17H22N2O3S/c20-16(14-5-15(22-18-14)12-3-4-12)19-9-17(10-19)6-13(8-23-17)21-7-11-1-2-11/h5,11-13H,1-4,6-10H2/t13-/m0/s1
InChIKeyOPUHPAACVRDKCP-ZDUSSCGKSA-N
XLogP2.68
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-cyclopropyl-1,2-oxazol-3-yl)-[(7R)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124828294
[(7S)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 124796712
[(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone
CID 124790834
(3-methyl-1,2-oxazol-5-yl)-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124913052
[(7S)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 124811680
[(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone
CID 124806536
[7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone
CID 131662707
[7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 131658713
[(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone
CID 124815222
(3,5-dimethylphenyl)-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124796560
[(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 124789517
[(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 124802173

Frequently Asked Questions

What is the IUPAC name of [(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone (CID 124793702) is [(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone is O=C(c1cc(C2CC2)on1)N1CC2(C[C@H](OCC3CC3)CS2)C1.
What is the InChIKey of [(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
The InChIKey is OPUHPAACVRDKCP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N2O3S/c20-16(14-5-15(22-18-14)12-3-4-12)19-9-17(10-19)6-13(8-23-17)21-7-11-1-2-11/h5,11-13H,1-4,6-10H2/t13-/m0/s1.
What are the key properties of [(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
[(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone has a molecular weight of 334.44 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 124793702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).