8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one

C16H23N3O3 — CID 70788371

IUPAC8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(C(=O)c3oc(C)nc3C)CC2)CC1=O
InChIInChI=1S/C16H23N3O3/c1-4-18-10-16(9-13(18)20)5-7-19(8-6-16)15(21)14-11(2)17-12(3)22-14/h4-10H2,1-3H3
InChIKeyHJHCAAQUTBTOGL-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.77
Rot. Bonds2

About 8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one

8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70788371) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70788371
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(C(=O)c3oc(C)nc3C)CC2)CC1=O
InChIInChI=1S/C16H23N3O3/c1-4-18-10-16(9-13(18)20)5-7-19(8-6-16)15(21)14-11(2)17-12(3)22-14/h4-10H2,1-3H3
InChIKeyHJHCAAQUTBTOGL-UHFFFAOYSA-N
XLogP1.77
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one (CID 70788371) is 8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one is CCN1CC2(CCN(C(=O)c3oc(C)nc3C)CC2)CC1=O.
What is the InChIKey of 8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is HJHCAAQUTBTOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-4-18-10-16(9-13(18)20)5-7-19(8-6-16)15(21)14-11(2)17-12(3)22-14/h4-10H2,1-3H3.
What are the key properties of 8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 305.38 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70788371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).