N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C18H21N3O3 — CID 71860907

IUPACN-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(NC(=O)C1CC2CCC1O2)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C18H21N3O3/c1-11(19-18(22)14-10-13-7-8-15(14)23-13)17-20-16(24-21-17)9-12-5-3-2-4-6-12/h2-6,11,13-15H,7-10H2,1H3,(H,19,22)
InChIKeyZXQQYOPLBOWKHV-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.41
Rot. Bonds5

About N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 71860907) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID71860907
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(NC(=O)C1CC2CCC1O2)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C18H21N3O3/c1-11(19-18(22)14-10-13-7-8-15(14)23-13)17-20-16(24-21-17)9-12-5-3-2-4-6-12/h2-6,11,13-15H,7-10H2,1H3,(H,19,22)
InChIKeyZXQQYOPLBOWKHV-UHFFFAOYSA-N
XLogP2.41
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide
CID 120795854
(2S,4S)-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120637714
(2R)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 119340836
(2S)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride
CID 119340827
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-prop-2-enoylazetidine-3-carboxamide
CID 154877094
N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 96559454
(1R,2S,4R)-N-[(2R)-1-anilinopropan-2-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 98787989
3-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119952323
N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 96559452
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide
CID 71976229
(1S,2R,4R)-N-benzyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 124504672
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine
CID 138043202

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 71860907) is N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is CC(NC(=O)C1CC2CCC1O2)c1noc(Cc2ccccc2)n1.
What is the InChIKey of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is ZXQQYOPLBOWKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-11(19-18(22)14-10-13-7-8-15(14)23-13)17-20-16(24-21-17)9-12-5-3-2-4-6-12/h2-6,11,13-15H,7-10H2,1H3,(H,19,22).
What are the key properties of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 71860907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).