8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane

C19H25N3O3 — CID 118739585

IUPAC8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
SMILESCc1cc(CN2CCC3(CC2)COC(COc2ccccn2)C3)no1
InChIInChI=1S/C19H25N3O3/c1-15-10-16(21-25-15)12-22-8-5-19(6-9-22)11-17(24-14-19)13-23-18-4-2-3-7-20-18/h2-4,7,10,17H,5-6,8-9,11-14H2,1H3
InChIKeyNZGQMQUNRFHWFH-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.83
Rot. Bonds5

About 8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane

8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane (PubChem CID 118739585) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
PubChem CID118739585
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
SMILESCc1cc(CN2CCC3(CC2)COC(COc2ccccn2)C3)no1
InChIInChI=1S/C19H25N3O3/c1-15-10-16(21-25-15)12-22-8-5-19(6-9-22)11-17(24-14-19)13-23-18-4-2-3-7-20-18/h2-4,7,10,17H,5-6,8-9,11-14H2,1H3
InChIKeyNZGQMQUNRFHWFH-UHFFFAOYSA-N
XLogP2.83
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane (CID 118739585) is 8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane is Cc1cc(CN2CCC3(CC2)COC(COc2ccccn2)C3)no1.
What is the InChIKey of 8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is NZGQMQUNRFHWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-15-10-16(21-25-15)12-22-8-5-19(6-9-22)11-17(24-14-19)13-23-18-4-2-3-7-20-18/h2-4,7,10,17H,5-6,8-9,11-14H2,1H3.
What are the key properties of 8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane?
8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 343.43 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118739585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).