N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride

C16H20ClN3O2S — CID 129001221

IUPACN-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCl.O=C(c1ccon1)N(Cc1ccsc1)C1CC12CCNCC2
InChIInChI=1S/C16H19N3O2S.ClH/c20-15(13-1-7-21-18-13)19(10-12-2-8-22-11-12)14-9-16(14)3-5-17-6-4-16;/h1-2,7-8,11,14,17H,3-6,9-10H2;1H
InChIKeyIYHGGYUZIDNSDD-UHFFFAOYSA-N
MW353.88 g/mol
LogP2.94
Rot. Bonds4

About N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride

N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride (PubChem CID 129001221) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride
PubChem CID129001221
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC NameN-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCl.O=C(c1ccon1)N(Cc1ccsc1)C1CC12CCNCC2
InChIInChI=1S/C16H19N3O2S.ClH/c20-15(13-1-7-21-18-13)19(10-12-2-8-22-11-12)14-9-16(14)3-5-17-6-4-16;/h1-2,7-8,11,14,17H,3-6,9-10H2;1H
InChIKeyIYHGGYUZIDNSDD-UHFFFAOYSA-N
XLogP2.94
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 129465975
N-[(2S)-6-azaspiro[2.5]octan-2-yl]-6-oxo-N-(thiophen-3-ylmethyl)-1H-pyridazine-3-carboxamide
CID 99778402
N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 129476775
N-(6-azaspiro[2.5]octan-2-yl)-4-chloro-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 128994657
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-chloro-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 129473894
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2,5-dimethyl-N-(thiophen-3-ylmethyl)furan-3-carboxamide
CID 129466841
N-[(2S)-6-azaspiro[2.5]octan-2-yl]-3-chloro-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 129466008
(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)-N-(thiophen-3-ylmethyl)-1,3-benzodioxole-4-carboxamide
CID 128992627
3-amino-N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride
CID 128990570
(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
(2S)-2-amino-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-phenyl-N-(thiophen-3-ylmethyl)acetamide
CID 129338999

Frequently Asked Questions

What is the IUPAC name of N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride (CID 129001221) is N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride is Cl.O=C(c1ccon1)N(Cc1ccsc1)C1CC12CCNCC2.
What is the InChIKey of N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride?
The InChIKey is IYHGGYUZIDNSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S.ClH/c20-15(13-1-7-21-18-13)19(10-12-2-8-22-11-12)14-9-16(14)3-5-17-6-4-16;/h1-2,7-8,11,14,17H,3-6,9-10H2;1H.
What are the key properties of N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride?
N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride has a molecular weight of 353.88 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 129001221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).