3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methylpropanamide

C18H29N3O3 — CID 124864745

IUPAC3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methylpropanamide
SMILESCN(C(=O)CCc1nc(C(C)(C)C)no1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C
InChIInChI=1S/C18H29N3O3/c1-17(2,3)16-19-12(24-20-16)7-8-13(22)21(6)14-11-9-10-23-15(11)18(14,4)5/h11,14-15H,7-10H2,1-6H3/t11-,14-,15-/m1/s1
InChIKeyADYXYZINHWOFKN-KCPJHIHWSA-N
MW335.45 g/mol
LogP2.57
Rot. Bonds4

About 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methylpropanamide

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methylpropanamide (PubChem CID 124864745) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methylpropanamide
PubChem CID124864745
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methylpropanamide
SMILESCN(C(=O)CCc1nc(C(C)(C)C)no1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C
InChIInChI=1S/C18H29N3O3/c1-17(2,3)16-19-12(24-20-16)7-8-13(22)21(6)14-11-9-10-23-15(11)18(14,4)5/h11,14-15H,7-10H2,1-6H3/t11-,14-,15-/m1/s1
InChIKeyADYXYZINHWOFKN-KCPJHIHWSA-N
XLogP2.57
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methylpropanamide?
The IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methylpropanamide (CID 124864745) is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methylpropanamide.
What is the SMILES notation for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methylpropanamide?
The canonical SMILES for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methylpropanamide is CN(C(=O)CCc1nc(C(C)(C)C)no1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C.
What is the InChIKey of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methylpropanamide?
The InChIKey is ADYXYZINHWOFKN-KCPJHIHWSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-17(2,3)16-19-12(24-20-16)7-8-13(22)21(6)14-11-9-10-23-15(11)18(14,4)5/h11,14-15H,7-10H2,1-6H3/t11-,14-,15-/m1/s1.
What are the key properties of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methylpropanamide?
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methylpropanamide has a molecular weight of 335.45 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methylpropanamide is sourced from PubChem (CID 124864745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).