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

C15H23N3O2 — CID 118742819

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-2,6-diazaspiro[4.5]decan-3-one
SMILESCc1noc(C)c1CN1CC2(CCCCN2C)CC1=O
InChIInChI=1S/C15H23N3O2/c1-11-13(12(2)20-16-11)9-18-10-15(8-14(18)19)6-4-5-7-17(15)3/h4-10H2,1-3H3
InChIKeyNDFAUZAKAZUWOW-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.88
Rot. Bonds2

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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-2,6-diazaspiro[4.5]decan-3-one (PubChem CID 118742819) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-2,6-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-2,6-diazaspiro[4.5]decan-3-one
PubChem CID118742819
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-2,6-diazaspiro[4.5]decan-3-one
SMILESCc1noc(C)c1CN1CC2(CCCCN2C)CC1=O
InChIInChI=1S/C15H23N3O2/c1-11-13(12(2)20-16-11)9-18-10-15(8-14(18)19)6-4-5-7-17(15)3/h4-10H2,1-3H3
InChIKeyNDFAUZAKAZUWOW-UHFFFAOYSA-N
XLogP1.88
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-2,6-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-2,6-diazaspiro[4.5]decan-3-one (CID 118742819) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-2,6-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-2,6-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-2,6-diazaspiro[4.5]decan-3-one is Cc1noc(C)c1CN1CC2(CCCCN2C)CC1=O.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-2,6-diazaspiro[4.5]decan-3-one?
The InChIKey is NDFAUZAKAZUWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-13(12(2)20-16-11)9-18-10-15(8-14(18)19)6-4-5-7-17(15)3/h4-10H2,1-3H3.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-2,6-diazaspiro[4.5]decan-3-one?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-2,6-diazaspiro[4.5]decan-3-one has a molecular weight of 277.37 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-2,6-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 118742819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).