7,7-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

C12H19N3O2 — CID 64865272

IUPAC7,7-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCc1noc(CNC2C3CCOC3C2(C)C)n1
InChIInChI=1S/C12H19N3O2/c1-7-14-9(17-15-7)6-13-10-8-4-5-16-11(8)12(10,2)3/h8,10-11,13H,4-6H2,1-3H3
InChIKeyNEYZPMDULZSUQW-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.28
Rot. Bonds3

About 7,7-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

7,7-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 64865272) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 7,7-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID64865272
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name7,7-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCc1noc(CNC2C3CCOC3C2(C)C)n1
InChIInChI=1S/C12H19N3O2/c1-7-14-9(17-15-7)6-13-10-8-4-5-16-11(8)12(10,2)3/h8,10-11,13H,4-6H2,1-3H3
InChIKeyNEYZPMDULZSUQW-UHFFFAOYSA-N
XLogP1.28
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7,7-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine with MolForge

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Related Compounds

N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 71929935
1-[(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(3-ethoxyspiro[3.4]octan-1-yl)urea
CID 72116579
N-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-2-cyclopropyloxolan-3-amine
CID 128067833
N-[2-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]propan-2-yl]-2,2,2-trifluoroacetamide
CID 121550952
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 60766745
N-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 60837094
N-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine
CID 60837876
N-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 61816530
N-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 61816531
N-methyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 61816727
N-methyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 62627487
N-ethyl-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62818334

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (CID 64865272) is 7,7-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is Cc1noc(CNC2C3CCOC3C2(C)C)n1.
What is the InChIKey of 7,7-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is NEYZPMDULZSUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-7-14-9(17-15-7)6-13-10-8-4-5-16-11(8)12(10,2)3/h8,10-11,13H,4-6H2,1-3H3.
What are the key properties of 7,7-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 237.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 64865272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).