9-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane

C15H18N4O3 — CID 133493818

IUPAC9-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane
SMILESCc1noc(-c2cccnc2N2CCOC3(CCOC3)C2)n1
InChIInChI=1S/C15H18N4O3/c1-11-17-14(22-18-11)12-3-2-5-16-13(12)19-6-8-21-15(9-19)4-7-20-10-15/h2-3,5H,4,6-10H2,1H3
InChIKeyRWPCVASNJFLTCB-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.44
Rot. Bonds2

About 9-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane

9-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane (PubChem CID 133493818) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 9-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane
PubChem CID133493818
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name9-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane
SMILESCc1noc(-c2cccnc2N2CCOC3(CCOC3)C2)n1
InChIInChI=1S/C15H18N4O3/c1-11-17-14(22-18-11)12-3-2-5-16-13(12)19-6-8-21-15(9-19)4-7-20-10-15/h2-3,5H,4,6-10H2,1H3
InChIKeyRWPCVASNJFLTCB-UHFFFAOYSA-N
XLogP1.44
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane with MolForge

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Related Compounds

9-(3-methylquinoxalin-2-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133493903
3-methyl-5-[2-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 133380752
9-pyridin-2-yl-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479328
9-(2,5,6-trimethylpyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479181
3-methyl-5-[2-[4-(3-methylbutyl)piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 133317102
3-methyl-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 71924549
(2R)-1-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-1-yl]propan-2-ol
CID 133486181
1-(4-ethylpiperazin-1-yl)-2-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]ethanone
CID 133321152
(2S)-2-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
CID 97308419
tert-butyl 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 95929891
1-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-1-yl]-2-phenylethanone
CID 133328444
3-methyl-5-[2-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 75382035

Frequently Asked Questions

What is the IUPAC name of 9-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane (CID 133493818) is 9-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane is Cc1noc(-c2cccnc2N2CCOC3(CCOC3)C2)n1.
What is the InChIKey of 9-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane?
The InChIKey is RWPCVASNJFLTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-11-17-14(22-18-11)12-3-2-5-16-13(12)19-6-8-21-15(9-19)4-7-20-10-15/h2-3,5H,4,6-10H2,1H3.
What are the key properties of 9-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane?
9-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane has a molecular weight of 302.33 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 133493818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).