(1R,2R,4S)-2-ethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide

C19H24N4O2 — CID 146038676

IUPAC(1R,2R,4S)-2-ethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC[C@@]1(C(=O)NCCc2noc(-c3ccccc3)n2)C[C@@H]2CC[C@H]1N2
InChIInChI=1S/C19H24N4O2/c1-2-19(12-14-8-9-15(19)21-14)18(24)20-11-10-16-22-17(25-23-16)13-6-4-3-5-7-13/h3-7,14-15,21H,2,8-12H2,1H3,(H,20,24)/t14-,15+,19+/m0/s1
InChIKeyCYBZORZSSBOUDB-QMTMVMCOSA-N
MW340.43 g/mol
LogP2.32
Rot. Bonds6

About (1R,2R,4S)-2-ethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide

(1R,2R,4S)-2-ethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 146038676) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (1R,2R,4S)-2-ethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4S)-2-ethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID146038676
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(1R,2R,4S)-2-ethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC[C@@]1(C(=O)NCCc2noc(-c3ccccc3)n2)C[C@@H]2CC[C@H]1N2
InChIInChI=1S/C19H24N4O2/c1-2-19(12-14-8-9-15(19)21-14)18(24)20-11-10-16-22-17(25-23-16)13-6-4-3-5-7-13/h3-7,14-15,21H,2,8-12H2,1H3,(H,20,24)/t14-,15+,19+/m0/s1
InChIKeyCYBZORZSSBOUDB-QMTMVMCOSA-N
XLogP2.32
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2-ethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2R,4S)-2-ethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 146038676) is (1R,2R,4S)-2-ethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2R,4S)-2-ethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2R,4S)-2-ethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide is CC[C@@]1(C(=O)NCCc2noc(-c3ccccc3)n2)C[C@@H]2CC[C@H]1N2.
What is the InChIKey of (1R,2R,4S)-2-ethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is CYBZORZSSBOUDB-QMTMVMCOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-19(12-14-8-9-15(19)21-14)18(24)20-11-10-16-22-17(25-23-16)13-6-4-3-5-7-13/h3-7,14-15,21H,2,8-12H2,1H3,(H,20,24)/t14-,15+,19+/m0/s1.
What are the key properties of (1R,2R,4S)-2-ethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
(1R,2R,4S)-2-ethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2-ethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 146038676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).