N-benzyl-5-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine

C23H27N5O3 — CID 53162776

IUPACN-benzyl-5-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
SMILESCN(Cc1ccccc1)c1ccc(-c2noc(CN3CCC4(CC3)OCCO4)n2)cn1
InChIInChI=1S/C23H27N5O3/c1-27(16-18-5-3-2-4-6-18)20-8-7-19(15-24-20)22-25-21(31-26-22)17-28-11-9-23(10-12-28)29-13-14-30-23/h2-8,15H,9-14,16-17H2,1H3
InChIKeyMSRGPOADVPAYNX-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.11
Rot. Bonds6

About N-benzyl-5-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine

N-benzyl-5-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine (PubChem CID 53162776) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-benzyl-5-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-5-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
PubChem CID53162776
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-benzyl-5-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
SMILESCN(Cc1ccccc1)c1ccc(-c2noc(CN3CCC4(CC3)OCCO4)n2)cn1
InChIInChI=1S/C23H27N5O3/c1-27(16-18-5-3-2-4-6-18)20-8-7-19(15-24-20)22-25-21(31-26-22)17-28-11-9-23(10-12-28)29-13-14-30-23/h2-8,15H,9-14,16-17H2,1H3
InChIKeyMSRGPOADVPAYNX-UHFFFAOYSA-N
XLogP3.11
TPSA76.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-benzyl-5-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-benzyl-N-methyl-5-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 95100369
4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 80702356
1-[4-[5-[(3,3-dimethylazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine
CID 154766161
4-[5-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
CID 53162753
3-(4-phenylmethoxyphenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
CID 46923435
[3-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120771610
2-(dimethylamino)-8-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 118795478
N-benzyl-N-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine
CID 53004469
1-[[3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one
CID 86640840
5-[[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 56715166
3-phenyl-5-[[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole
CID 28739652
1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 131943319

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine?
The IUPAC name of N-benzyl-5-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine (CID 53162776) is N-benzyl-5-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine.
What is the SMILES notation for N-benzyl-5-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine?
The canonical SMILES for N-benzyl-5-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine is CN(Cc1ccccc1)c1ccc(-c2noc(CN3CCC4(CC3)OCCO4)n2)cn1.
What is the InChIKey of N-benzyl-5-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine?
The InChIKey is MSRGPOADVPAYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-27(16-18-5-3-2-4-6-18)20-8-7-19(15-24-20)22-25-21(31-26-22)17-28-11-9-23(10-12-28)29-13-14-30-23/h2-8,15H,9-14,16-17H2,1H3.
What are the key properties of N-benzyl-5-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine?
N-benzyl-5-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine has a molecular weight of 421.50 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine is sourced from PubChem (CID 53162776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).