N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine

C18H24N4O3 — CID 70775278

IUPACN-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESc1ccc(-c2noc(CCNC3CCOC4(CCOCC4)C3)n2)nc1
InChIInChI=1S/C18H24N4O3/c1-2-8-20-15(3-1)17-21-16(25-22-17)4-9-19-14-5-10-24-18(13-14)6-11-23-12-7-18/h1-3,8,14,19H,4-7,9-13H2
InChIKeyIEGPXILVBLXCDO-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.99
Rot. Bonds5

About N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine

N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine (PubChem CID 70775278) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
PubChem CID70775278
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESc1ccc(-c2noc(CCNC3CCOC4(CCOCC4)C3)n2)nc1
InChIInChI=1S/C18H24N4O3/c1-2-8-20-15(3-1)17-21-16(25-22-17)4-9-19-14-5-10-24-18(13-14)6-11-23-12-7-18/h1-3,8,14,19H,4-7,9-13H2
InChIKeyIEGPXILVBLXCDO-UHFFFAOYSA-N
XLogP1.99
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine with MolForge

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Related Compounds

(4S)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96578367
(4R)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96581370
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 60837872
N-(2-thiophen-2-ylethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 70727079
(4R)-N-(4-phenylbutyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96578536
N-[(3-methyl-2-pyridinyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79903039
(4S)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96580007
(4R)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96576671
(4S)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96576672
N-[2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 82737536
1-methyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 126449114
2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-yl]pyridine
CID 70717623

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine (CID 70775278) is N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine is c1ccc(-c2noc(CCNC3CCOC4(CCOCC4)C3)n2)nc1.
What is the InChIKey of N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
The InChIKey is IEGPXILVBLXCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-2-8-20-15(3-1)17-21-16(25-22-17)4-9-19-14-5-10-24-18(13-14)6-11-23-12-7-18/h1-3,8,14,19H,4-7,9-13H2.
What are the key properties of N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine has a molecular weight of 344.42 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 70775278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).