[(7S)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone

C18H26N2O3S — CID 124811680

IUPAC[(7S)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CC2(C[C@H](OCC3CCCC3)CS2)C1
InChIInChI=1S/C18H26N2O3S/c1-12-16(13(2)23-19-12)17(21)20-10-18(11-20)7-15(9-24-18)22-8-14-5-3-4-6-14/h14-15H,3-11H2,1-2H3/t15-/m0/s1
InChIKeyYFYGRISYQXRHIG-HNNXBMFYSA-N
MW350.48 g/mol
LogP3.20
Rot. Bonds4

About [(7S)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone

[(7S)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (PubChem CID 124811680) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is [(7S)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(7S)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
PubChem CID124811680
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name[(7S)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CC2(C[C@H](OCC3CCCC3)CS2)C1
InChIInChI=1S/C18H26N2O3S/c1-12-16(13(2)23-19-12)17(21)20-10-18(11-20)7-15(9-24-18)22-8-14-5-3-4-6-14/h14-15H,3-11H2,1-2H3/t15-/m0/s1
InChIKeyYFYGRISYQXRHIG-HNNXBMFYSA-N
XLogP3.20
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(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-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone
CID 124806536
[(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 124793702
[(7R)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone
CID 124787822
(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(3-methyl-5-propyl-1,2-oxazol-4-yl)methanone
CID 131692295
(3,5-dimethylphenyl)-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124796560
[(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone
CID 124815222
[(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone
CID 124790834
[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
7-(cyclopropylmethoxy)-N,N-dimethyl-5-thia-2-azaspiro[3.4]octane-2-carboxamide
CID 131661234
[(7S)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 124796712

Frequently Asked Questions

What is the IUPAC name of [(7S)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [(7S)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (CID 124811680) is [(7S)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [(7S)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [(7S)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is Cc1noc(C)c1C(=O)N1CC2(C[C@H](OCC3CCCC3)CS2)C1.
What is the InChIKey of [(7S)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The InChIKey is YFYGRISYQXRHIG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-12-16(13(2)23-19-12)17(21)20-10-18(11-20)7-15(9-24-18)22-8-14-5-3-4-6-14/h14-15H,3-11H2,1-2H3/t15-/m0/s1.
What are the key properties of [(7S)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
[(7S)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone has a molecular weight of 350.48 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 124811680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).