2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide

C19H30N4O2 — CID 99696279

IUPAC2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
SMILESCc1nc(C2(NC(=O)CC3C[C@H]4CC[C@@H](C3)N4)CCCCCC2)no1
InChIInChI=1S/C19H30N4O2/c1-13-20-18(23-25-13)19(8-4-2-3-5-9-19)22-17(24)12-14-10-15-6-7-16(11-14)21-15/h14-16,21H,2-12H2,1H3,(H,22,24)/t14?,15-,16+
InChIKeyVYZSCVRHLYGIEB-MQVJKMGUSA-N
MW346.48 g/mol
LogP2.96
Rot. Bonds4

About 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide

2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide (PubChem CID 99696279) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide.

Molecular Properties

Compound Name2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
PubChem CID99696279
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
SMILESCc1nc(C2(NC(=O)CC3C[C@H]4CC[C@@H](C3)N4)CCCCCC2)no1
InChIInChI=1S/C19H30N4O2/c1-13-20-18(23-25-13)19(8-4-2-3-5-9-19)22-17(24)12-14-10-15-6-7-16(11-14)21-15/h14-16,21H,2-12H2,1H3,(H,22,24)/t14?,15-,16+
InChIKeyVYZSCVRHLYGIEB-MQVJKMGUSA-N
XLogP2.96
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide with MolForge

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Related Compounds

3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide
CID 43045493
2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]acetamide
CID 166403701
2-(methylamino)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 119701756
3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]butanamide
CID 139001034
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]cyclopentanecarboxamide
CID 35781179
2-ethoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 52571685
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 71896474
2-(4-chlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
CID 71896477
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869869
2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
CID 55622293
2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide
CID 31163791
2,2-dichloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]cyclopropane-1-carboxamide
CID 78863893

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide?
The IUPAC name of 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide (CID 99696279) is 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide.
What is the SMILES notation for 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide?
The canonical SMILES for 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide is Cc1nc(C2(NC(=O)CC3C[C@H]4CC[C@@H](C3)N4)CCCCCC2)no1.
What is the InChIKey of 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide?
The InChIKey is VYZSCVRHLYGIEB-MQVJKMGUSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-13-20-18(23-25-13)19(8-4-2-3-5-9-19)22-17(24)12-14-10-15-6-7-16(11-14)21-15/h14-16,21H,2-12H2,1H3,(H,22,24)/t14?,15-,16+.
What are the key properties of 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide?
2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide has a molecular weight of 346.48 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide is sourced from PubChem (CID 99696279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).