3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)propan-1-one

C17H27N3O2 — CID 71801354

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCN(C)CC12CCCC2
InChIInChI=1S/C17H27N3O2/c1-13-15(14(2)22-18-13)6-7-16(21)20-11-10-19(3)12-17(20)8-4-5-9-17/h4-12H2,1-3H3
InChIKeyCYFOCMKNRCQNRE-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.31
Rot. Bonds3

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)propan-1-one

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)propan-1-one (PubChem CID 71801354) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)propan-1-one
PubChem CID71801354
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCN(C)CC12CCCC2
InChIInChI=1S/C17H27N3O2/c1-13-15(14(2)22-18-13)6-7-16(21)20-11-10-19(3)12-17(20)8-4-5-9-17/h4-12H2,1-3H3
InChIKeyCYFOCMKNRCQNRE-UHFFFAOYSA-N
XLogP2.31
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)propan-1-one (CID 71801354) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)propan-1-one is Cc1noc(C)c1CCC(=O)N1CCN(C)CC12CCCC2.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)propan-1-one?
The InChIKey is CYFOCMKNRCQNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13-15(14(2)22-18-13)6-7-16(21)20-11-10-19(3)12-17(20)8-4-5-9-17/h4-12H2,1-3H3.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)propan-1-one?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)propan-1-one has a molecular weight of 305.42 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)propan-1-one is sourced from PubChem (CID 71801354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).