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

C13H17N3O3 — CID 66334806

IUPAC8-(4-methyl-1,2-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1cnoc1C(=O)N1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C13H17N3O3/c1-9-7-15-19-11(9)12(18)16-4-2-13(3-5-16)6-10(17)14-8-13/h7H,2-6,8H2,1H3,(H,14,17)
InChIKeyRTCVQHKOUWQPJU-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.73
Rot. Bonds1

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

8-(4-methyl-1,2-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 66334806) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 8-(4-methyl-1,2-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(4-methyl-1,2-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID66334806
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name8-(4-methyl-1,2-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1cnoc1C(=O)N1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C13H17N3O3/c1-9-7-15-19-11(9)12(18)16-4-2-13(3-5-16)6-10(17)14-8-13/h7H,2-6,8H2,1H3,(H,14,17)
InChIKeyRTCVQHKOUWQPJU-UHFFFAOYSA-N
XLogP0.73
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methyl-1,2-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(4-methyl-1,2-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (CID 66334806) is 8-(4-methyl-1,2-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(4-methyl-1,2-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(4-methyl-1,2-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is Cc1cnoc1C(=O)N1CCC2(CC1)CNC(=O)C2.
What is the InChIKey of 8-(4-methyl-1,2-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is RTCVQHKOUWQPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9-7-15-19-11(9)12(18)16-4-2-13(3-5-16)6-10(17)14-8-13/h7H,2-6,8H2,1H3,(H,14,17).
What are the key properties of 8-(4-methyl-1,2-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(4-methyl-1,2-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 263.30 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methyl-1,2-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 66334806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).