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

C13H21N3O2 — CID 97085792

IUPACN-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCC(C)c1noc(N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)n1
InChIInChI=1S/C13H21N3O2/c1-7(2)11-15-12(18-16-11)14-9-8-5-6-17-10(8)13(9,3)4/h7-10H,5-6H2,1-4H3,(H,14,15,16)/t8-,9-,10+/m1/s1
InChIKeyWPJORXFAHZATOV-BBBLOLIVSA-N
MW251.33 g/mol
LogP2.42
Rot. Bonds3

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

N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine (PubChem CID 97085792) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine
PubChem CID97085792
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCC(C)c1noc(N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)n1
InChIInChI=1S/C13H21N3O2/c1-7(2)11-15-12(18-16-11)14-9-8-5-6-17-10(8)13(9,3)4/h7-10H,5-6H2,1-4H3,(H,14,15,16)/t8-,9-,10+/m1/s1
InChIKeyWPJORXFAHZATOV-BBBLOLIVSA-N
XLogP2.42
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

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
3-cyclobutyl-N-[1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-yl]-1,2,4-oxadiazol-5-amine
CID 154794704
3-(oxolan-2-ylmethyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 62594305
3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 62594847
N-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 62595608
3-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 64187885
3-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 64187886
N-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-amine
CID 64188083
7,7-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64865272
N-(6-oxaspiro[4.5]decan-9-yl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 71915436
3-cyclopropyl-N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-amine
CID 71926510
3-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1,2,4-oxadiazol-5-amine
CID 71929934

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine (CID 97085792) is N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine is CC(C)c1noc(N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)n1.
What is the InChIKey of N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
The InChIKey is WPJORXFAHZATOV-BBBLOLIVSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-7(2)11-15-12(18-16-11)14-9-8-5-6-17-10(8)13(9,3)4/h7-10H,5-6H2,1-4H3,(H,14,15,16)/t8-,9-,10+/m1/s1.
What are the key properties of N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine has a molecular weight of 251.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 97085792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).