1-[(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-5,5-dimethylhexan-1-one

C18H29N3O3 — CID 146112808

IUPAC1-[(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-5,5-dimethylhexan-1-one
SMILESCOCc1nnc([C@]23CC[C@H]2CCN3C(=O)CCCC(C)(C)C)o1
InChIInChI=1S/C18H29N3O3/c1-17(2,3)9-5-6-15(22)21-11-8-13-7-10-18(13,21)16-20-19-14(24-16)12-23-4/h13H,5-12H2,1-4H3/t13-,18-/m0/s1
InChIKeyVYCMGMIFLIXSGS-UGSOOPFHSA-N
MW335.45 g/mol
LogP3.27
Rot. Bonds6

About 1-[(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-5,5-dimethylhexan-1-one

1-[(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-5,5-dimethylhexan-1-one (PubChem CID 146112808) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-5,5-dimethylhexan-1-one.

Molecular Properties

Compound Name1-[(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-5,5-dimethylhexan-1-one
PubChem CID146112808
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name1-[(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-5,5-dimethylhexan-1-one
SMILESCOCc1nnc([C@]23CC[C@H]2CCN3C(=O)CCCC(C)(C)C)o1
InChIInChI=1S/C18H29N3O3/c1-17(2,3)9-5-6-15(22)21-11-8-13-7-10-18(13,21)16-20-19-14(24-16)12-23-4/h13H,5-12H2,1-4H3/t13-,18-/m0/s1
InChIKeyVYCMGMIFLIXSGS-UGSOOPFHSA-N
XLogP3.27
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-5,5-dimethylhexan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-5,5-dimethylhexan-1-one?
The IUPAC name of 1-[(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-5,5-dimethylhexan-1-one (CID 146112808) is 1-[(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-5,5-dimethylhexan-1-one.
What is the SMILES notation for 1-[(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-5,5-dimethylhexan-1-one?
The canonical SMILES for 1-[(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-5,5-dimethylhexan-1-one is COCc1nnc([C@]23CC[C@H]2CCN3C(=O)CCCC(C)(C)C)o1.
What is the InChIKey of 1-[(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-5,5-dimethylhexan-1-one?
The InChIKey is VYCMGMIFLIXSGS-UGSOOPFHSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-17(2,3)9-5-6-15(22)21-11-8-13-7-10-18(13,21)16-20-19-14(24-16)12-23-4/h13H,5-12H2,1-4H3/t13-,18-/m0/s1.
What are the key properties of 1-[(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-5,5-dimethylhexan-1-one?
1-[(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-5,5-dimethylhexan-1-one has a molecular weight of 335.45 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-5,5-dimethylhexan-1-one is sourced from PubChem (CID 146112808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).