2-methyl-1-[9-(1,2-oxazole-5-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one

C16H23N3O3 — CID 118739167

IUPAC2-methyl-1-[9-(1,2-oxazole-5-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCCC12CCCN(C(=O)c1ccno1)C2
InChIInChI=1S/C16H23N3O3/c1-12(2)14(20)19-10-4-7-16(19)6-3-9-18(11-16)15(21)13-5-8-17-22-13/h5,8,12H,3-4,6-7,9-11H2,1-2H3
InChIKeyRTFZENXNUSAGLC-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.93
Rot. Bonds2

About 2-methyl-1-[9-(1,2-oxazole-5-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one

2-methyl-1-[9-(1,2-oxazole-5-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one (PubChem CID 118739167) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-methyl-1-[9-(1,2-oxazole-5-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[9-(1,2-oxazole-5-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one
PubChem CID118739167
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-methyl-1-[9-(1,2-oxazole-5-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCCC12CCCN(C(=O)c1ccno1)C2
InChIInChI=1S/C16H23N3O3/c1-12(2)14(20)19-10-4-7-16(19)6-3-9-18(11-16)15(21)13-5-8-17-22-13/h5,8,12H,3-4,6-7,9-11H2,1-2H3
InChIKeyRTFZENXNUSAGLC-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[9-(1,2-oxazole-5-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[9-(1,2-oxazole-5-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one (CID 118739167) is 2-methyl-1-[9-(1,2-oxazole-5-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[9-(1,2-oxazole-5-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[9-(1,2-oxazole-5-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one is CC(C)C(=O)N1CCCC12CCCN(C(=O)c1ccno1)C2.
What is the InChIKey of 2-methyl-1-[9-(1,2-oxazole-5-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one?
The InChIKey is RTFZENXNUSAGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12(2)14(20)19-10-4-7-16(19)6-3-9-18(11-16)15(21)13-5-8-17-22-13/h5,8,12H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of 2-methyl-1-[9-(1,2-oxazole-5-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one?
2-methyl-1-[9-(1,2-oxazole-5-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one has a molecular weight of 305.38 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[9-(1,2-oxazole-5-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one is sourced from PubChem (CID 118739167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).