6-ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one

C13H18N4O3 — CID 118742217

IUPAC6-ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCCN1CC(=O)NCC12CCN(C(=O)c1ccno1)C2
InChIInChI=1S/C13H18N4O3/c1-2-17-7-11(18)14-8-13(17)4-6-16(9-13)12(19)10-3-5-15-20-10/h3,5H,2,4,6-9H2,1H3,(H,14,18)
InChIKeyYOVYOZFVRRPAJU-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.29
Rot. Bonds2

About 6-ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one

6-ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 118742217) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 6-ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name6-ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID118742217
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name6-ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCCN1CC(=O)NCC12CCN(C(=O)c1ccno1)C2
InChIInChI=1S/C13H18N4O3/c1-2-17-7-11(18)14-8-13(17)4-6-16(9-13)12(19)10-3-5-15-20-10/h3,5H,2,4,6-9H2,1H3,(H,14,18)
InChIKeyYOVYOZFVRRPAJU-UHFFFAOYSA-N
XLogP-0.29
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of 6-ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one (CID 118742217) is 6-ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for 6-ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for 6-ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one is CCN1CC(=O)NCC12CCN(C(=O)c1ccno1)C2.
What is the InChIKey of 6-ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is YOVYOZFVRRPAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-2-17-7-11(18)14-8-13(17)4-6-16(9-13)12(19)10-3-5-15-20-10/h3,5H,2,4,6-9H2,1H3,(H,14,18).
What are the key properties of 6-ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one?
6-ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 278.31 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 118742217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).