N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]bicyclo[2.2.1]heptane-2-carboxamide

C18H27N3O2 — CID 71896474

IUPACN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1nc(C2(NC(=O)C3CC4CCC3C4)CCCCCC2)no1
InChIInChI=1S/C18H27N3O2/c1-12-19-17(21-23-12)18(8-4-2-3-5-9-18)20-16(22)15-11-13-6-7-14(15)10-13/h13-15H,2-11H2,1H3,(H,20,22)
InChIKeyDVPNVIYKOIAWON-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.48
Rot. Bonds3

About N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 71896474) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID71896474
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1nc(C2(NC(=O)C3CC4CCC3C4)CCCCCC2)no1
InChIInChI=1S/C18H27N3O2/c1-12-19-17(21-23-12)18(8-4-2-3-5-9-18)20-16(22)15-11-13-6-7-14(15)10-13/h13-15H,2-11H2,1H3,(H,20,22)
InChIKeyDVPNVIYKOIAWON-UHFFFAOYSA-N
XLogP3.48
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 71896474) is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]bicyclo[2.2.1]heptane-2-carboxamide is Cc1nc(C2(NC(=O)C3CC4CCC3C4)CCCCCC2)no1.
What is the InChIKey of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is DVPNVIYKOIAWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-12-19-17(21-23-12)18(8-4-2-3-5-9-18)20-16(22)15-11-13-6-7-14(15)10-13/h13-15H,2-11H2,1H3,(H,20,22).
What are the key properties of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 71896474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).