2-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide;hydrochloride

C17H21ClN4O2 — CID 120838608

IUPAC2-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide;hydrochloride
SMILESCl.O=C(Cc1noc(C2CC23CCNCC3)n1)Nc1ccccc1
InChIInChI=1S/C17H20N4O2.ClH/c22-15(19-12-4-2-1-3-5-12)10-14-20-16(23-21-14)13-11-17(13)6-8-18-9-7-17;/h1-5,13,18H,6-11H2,(H,19,22);1H
InChIKeyLRSDPOPGDYBNJO-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.53
Rot. Bonds4

About 2-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide;hydrochloride

2-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide;hydrochloride (PubChem CID 120838608) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide;hydrochloride
PubChem CID120838608
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name2-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide;hydrochloride
SMILESCl.O=C(Cc1noc(C2CC23CCNCC3)n1)Nc1ccccc1
InChIInChI=1S/C17H20N4O2.ClH/c22-15(19-12-4-2-1-3-5-12)10-14-20-16(23-21-14)13-11-17(13)6-8-18-9-7-17;/h1-5,13,18H,6-11H2,(H,19,22);1H
InChIKeyLRSDPOPGDYBNJO-UHFFFAOYSA-N
XLogP2.53
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide;hydrochloride with MolForge

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Related Compounds

2-[5-(5-azaspiro[2.4]heptan-2-yl)-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride
CID 120835324
2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 120838527
2-[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid
CID 174238017
2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 120838572
N-phenyl-2-[5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 120838621
N-phenyl-2-[5-[(2R,3S)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 124843527
N-phenyl-2-[5-[(1R,2R)-2-(pyrrolidine-1-carbonyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 100659849
methyl 4-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]benzoate;hydrochloride
CID 120841404
2-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 99632717
3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 39339684
1-[4-[5-(6-oxaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-3-phenylurea
CID 167769321
N-(4-methylphenyl)-2-[5-[(2R)-morpholin-2-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 120835397

Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide;hydrochloride?
The IUPAC name of 2-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide;hydrochloride (CID 120838608) is 2-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide;hydrochloride.
What is the SMILES notation for 2-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide;hydrochloride?
The canonical SMILES for 2-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide;hydrochloride is Cl.O=C(Cc1noc(C2CC23CCNCC3)n1)Nc1ccccc1.
What is the InChIKey of 2-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide;hydrochloride?
The InChIKey is LRSDPOPGDYBNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2.ClH/c22-15(19-12-4-2-1-3-5-12)10-14-20-16(23-21-14)13-11-17(13)6-8-18-9-7-17;/h1-5,13,18H,6-11H2,(H,19,22);1H.
What are the key properties of 2-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide;hydrochloride?
2-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide;hydrochloride has a molecular weight of 348.83 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide;hydrochloride is sourced from PubChem (CID 120838608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).