4-methyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one

C19H31N3O3 — CID 91924593

IUPAC4-methyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one
SMILESCC(C)CCC(=O)N1CC(c2nnc(C(C)C)o2)C2(CCOCC2)C1
InChIInChI=1S/C19H31N3O3/c1-13(2)5-6-16(23)22-11-15(18-21-20-17(25-18)14(3)4)19(12-22)7-9-24-10-8-19/h13-15H,5-12H2,1-4H3
InChIKeyASOMETLTQXCWQN-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.35
Rot. Bonds5

About 4-methyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one

4-methyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one (PubChem CID 91924593) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-methyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one.

Molecular Properties

Compound Name4-methyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one
PubChem CID91924593
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name4-methyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one
SMILESCC(C)CCC(=O)N1CC(c2nnc(C(C)C)o2)C2(CCOCC2)C1
InChIInChI=1S/C19H31N3O3/c1-13(2)5-6-16(23)22-11-15(18-21-20-17(25-18)14(3)4)19(12-22)7-9-24-10-8-19/h13-15H,5-12H2,1-4H3
InChIKeyASOMETLTQXCWQN-UHFFFAOYSA-N
XLogP3.35
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one?
The IUPAC name of 4-methyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one (CID 91924593) is 4-methyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one.
What is the SMILES notation for 4-methyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one?
The canonical SMILES for 4-methyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one is CC(C)CCC(=O)N1CC(c2nnc(C(C)C)o2)C2(CCOCC2)C1.
What is the InChIKey of 4-methyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one?
The InChIKey is ASOMETLTQXCWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-13(2)5-6-16(23)22-11-15(18-21-20-17(25-18)14(3)4)19(12-22)7-9-24-10-8-19/h13-15H,5-12H2,1-4H3.
What are the key properties of 4-methyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one?
4-methyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one has a molecular weight of 349.48 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one is sourced from PubChem (CID 91924593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).