N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-azaspiro[5.5]undecan-9-amine

C20H28N4O — CID 56717670

IUPACN-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
SMILESCN(Cc1cc(-c2ccccn2)no1)C1CCC2(CCNCC2)CC1
InChIInChI=1S/C20H28N4O/c1-24(16-5-7-20(8-6-16)9-12-21-13-10-20)15-17-14-19(23-25-17)18-4-2-3-11-22-18/h2-4,11,14,16,21H,5-10,12-13,15H2,1H3
InChIKeyVQELLXKRABQOES-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.48
Rot. Bonds4

About N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-azaspiro[5.5]undecan-9-amine

N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-azaspiro[5.5]undecan-9-amine (PubChem CID 56717670) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-azaspiro[5.5]undecan-9-amine.

Molecular Properties

Compound NameN-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
PubChem CID56717670
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
SMILESCN(Cc1cc(-c2ccccn2)no1)C1CCC2(CCNCC2)CC1
InChIInChI=1S/C20H28N4O/c1-24(16-5-7-20(8-6-16)9-12-21-13-10-20)15-17-14-19(23-25-17)18-4-2-3-11-22-18/h2-4,11,14,16,21H,5-10,12-13,15H2,1H3
InChIKeyVQELLXKRABQOES-UHFFFAOYSA-N
XLogP3.48
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-azaspiro[5.5]undecan-9-amine with MolForge

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Related Compounds

N-methyl-1-(5-pyrazolidin-3-ylthiophen-2-yl)-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 133108043
N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride
CID 154923519
5-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine
CID 134704491
(3aR,6aR)-5-cyclopentyl-N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 72885183
1-[2-[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 50967386
N-methyl-1-phenyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]methanesulfonamide
CID 131893335
N-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3H-quinazoline-2-carboxamide
CID 137255549
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine
CID 74243670
1-[2-[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 72940275
N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine
CID 77084858
(4R)-4-[[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
CID 125165131
N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine
CID 135116476

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-azaspiro[5.5]undecan-9-amine?
The IUPAC name of N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-azaspiro[5.5]undecan-9-amine (CID 56717670) is N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-azaspiro[5.5]undecan-9-amine.
What is the SMILES notation for N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-azaspiro[5.5]undecan-9-amine?
The canonical SMILES for N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-azaspiro[5.5]undecan-9-amine is CN(Cc1cc(-c2ccccn2)no1)C1CCC2(CCNCC2)CC1.
What is the InChIKey of N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-azaspiro[5.5]undecan-9-amine?
The InChIKey is VQELLXKRABQOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-24(16-5-7-20(8-6-16)9-12-21-13-10-20)15-17-14-19(23-25-17)18-4-2-3-11-22-18/h2-4,11,14,16,21H,5-10,12-13,15H2,1H3.
What are the key properties of N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-azaspiro[5.5]undecan-9-amine?
N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-azaspiro[5.5]undecan-9-amine has a molecular weight of 340.47 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-azaspiro[5.5]undecan-9-amine is sourced from PubChem (CID 56717670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).