(2S)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide

C20H27N3O2S — CID 129331623

IUPAC(2S)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide
SMILESCc1noc(C)c1[C@H](C)C(=O)N(Cc1ccsc1)[C@@H]1CC12CCNCC2
InChIInChI=1S/C20H27N3O2S/c1-13(18-14(2)22-25-15(18)3)19(24)23(11-16-4-9-26-12-16)17-10-20(17)5-7-21-8-6-20/h4,9,12-13,17,21H,5-8,10-11H2,1-3H3/t13-,17+/m0/s1
InChIKeyCGNFERFXEXUWKB-SUMWQHHRSA-N
MW373.52 g/mol
LogP3.63
Rot. Bonds5

About (2S)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide

(2S)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide (PubChem CID 129331623) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is (2S)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide
PubChem CID129331623
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name(2S)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide
SMILESCc1noc(C)c1[C@H](C)C(=O)N(Cc1ccsc1)[C@@H]1CC12CCNCC2
InChIInChI=1S/C20H27N3O2S/c1-13(18-14(2)22-25-15(18)3)19(24)23(11-16-4-9-26-12-16)17-10-20(17)5-7-21-8-6-20/h4,9,12-13,17,21H,5-8,10-11H2,1-3H3/t13-,17+/m0/s1
InChIKeyCGNFERFXEXUWKB-SUMWQHHRSA-N
XLogP3.63
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide with MolForge

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Related Compounds

N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2,5-dimethyl-N-(thiophen-3-ylmethyl)furan-3-carboxamide
CID 129466841
(2S)-2-amino-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-phenyl-N-(thiophen-3-ylmethyl)acetamide
CID 129338999
N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 129001221
3-amino-N-(6-azaspiro[2.5]octan-2-yl)-3-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 128994548
(2R)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-6-oxaspiro[2.5]octane-2-carboxamide
CID 129344233
N-(6-azaspiro[2.5]octan-2-yl)-3-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide
CID 128993528
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide
CID 129475653
N-[(2S)-6-azaspiro[2.5]octan-2-yl]-6-oxo-N-(thiophen-3-ylmethyl)-1H-pyridazine-3-carboxamide
CID 99778402
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-3-pyridin-2-yl-N-(thiophen-3-ylmethyl)propanamide
CID 129466575
cis-(1R,2S)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-cyclopropyl-N-(thiophen-3-ylmethyl)cyclopropane-1-carboxamide
CID 129465946
N-(6-azaspiro[2.5]octan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 129008141
N-[(2S)-6-azaspiro[2.5]octan-2-yl]-3-chloro-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 129466008

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide?
The IUPAC name of (2S)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide (CID 129331623) is (2S)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide.
What is the SMILES notation for (2S)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide?
The canonical SMILES for (2S)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide is Cc1noc(C)c1[C@H](C)C(=O)N(Cc1ccsc1)[C@@H]1CC12CCNCC2.
What is the InChIKey of (2S)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide?
The InChIKey is CGNFERFXEXUWKB-SUMWQHHRSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-13(18-14(2)22-25-15(18)3)19(24)23(11-16-4-9-26-12-16)17-10-20(17)5-7-21-8-6-20/h4,9,12-13,17,21H,5-8,10-11H2,1-3H3/t13-,17+/m0/s1.
What are the key properties of (2S)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide?
(2S)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide has a molecular weight of 373.52 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide is sourced from PubChem (CID 129331623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).