2-(2-methoxyethyl)-9-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

C18H30N4O3 — CID 70748706

IUPAC2-(2-methoxyethyl)-9-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(Cc1nnc(C(C)C)o1)CC2
InChIInChI=1S/C18H30N4O3/c1-14(2)17-20-19-15(25-17)12-21-8-6-18(7-9-21)5-4-16(23)22(13-18)10-11-24-3/h14H,4-13H2,1-3H3
InChIKeyJTDJPAFQBXCZMG-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.04
Rot. Bonds6

About 2-(2-methoxyethyl)-9-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

2-(2-methoxyethyl)-9-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70748706) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-9-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-9-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70748706
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name2-(2-methoxyethyl)-9-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(Cc1nnc(C(C)C)o1)CC2
InChIInChI=1S/C18H30N4O3/c1-14(2)17-20-19-15(25-17)12-21-8-6-18(7-9-21)5-4-16(23)22(13-18)10-11-24-3/h14H,4-13H2,1-3H3
InChIKeyJTDJPAFQBXCZMG-UHFFFAOYSA-N
XLogP2.04
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-9-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-methoxyethyl)-9-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70748706) is 2-(2-methoxyethyl)-9-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-9-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-9-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCC1=O)CCN(Cc1nnc(C(C)C)o1)CC2.
What is the InChIKey of 2-(2-methoxyethyl)-9-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is JTDJPAFQBXCZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-14(2)17-20-19-15(25-17)12-21-8-6-18(7-9-21)5-4-16(23)22(13-18)10-11-24-3/h14H,4-13H2,1-3H3.
What are the key properties of 2-(2-methoxyethyl)-9-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-methoxyethyl)-9-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 350.46 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-9-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70748706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).