8-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one

C18H27N3O4 — CID 138015866

IUPAC8-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one
SMILESCC1OC2(CCN(C(=O)CCc3ncc(C(C)(C)C)o3)CC2)NC1=O
InChIInChI=1S/C18H27N3O4/c1-12-16(23)20-18(25-12)7-9-21(10-8-18)15(22)6-5-14-19-11-13(24-14)17(2,3)4/h11-12H,5-10H2,1-4H3,(H,20,23)
InChIKeyUICQFEPQIFASPT-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.76
Rot. Bonds3

About 8-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one

8-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 138015866) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 8-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one
PubChem CID138015866
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name8-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one
SMILESCC1OC2(CCN(C(=O)CCc3ncc(C(C)(C)C)o3)CC2)NC1=O
InChIInChI=1S/C18H27N3O4/c1-12-16(23)20-18(25-12)7-9-21(10-8-18)15(22)6-5-14-19-11-13(24-14)17(2,3)4/h11-12H,5-10H2,1-4H3,(H,20,23)
InChIKeyUICQFEPQIFASPT-UHFFFAOYSA-N
XLogP1.76
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one (CID 138015866) is 8-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one is CC1OC2(CCN(C(=O)CCc3ncc(C(C)(C)C)o3)CC2)NC1=O.
What is the InChIKey of 8-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is UICQFEPQIFASPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-12-16(23)20-18(25-12)7-9-21(10-8-18)15(22)6-5-14-19-11-13(24-14)17(2,3)4/h11-12H,5-10H2,1-4H3,(H,20,23).
What are the key properties of 8-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
8-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 349.43 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 138015866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).