N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide

C16H16N4O2 — CID 42649348

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCC1CC2C=CC1C2)c1nc(-c2ccncc2)no1
InChIInChI=1S/C16H16N4O2/c21-15(18-9-13-8-10-1-2-12(13)7-10)16-19-14(20-22-16)11-3-5-17-6-4-11/h1-6,10,12-13H,7-9H2,(H,18,21)
InChIKeyACVWIQIXWFXJNU-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.07
Rot. Bonds4

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 42649348) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
PubChem CID42649348
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCC1CC2C=CC1C2)c1nc(-c2ccncc2)no1
InChIInChI=1S/C16H16N4O2/c21-15(18-9-13-8-10-1-2-12(13)7-10)16-19-14(20-22-16)11-3-5-17-6-4-11/h1-6,10,12-13H,7-9H2,(H,18,21)
InChIKeyACVWIQIXWFXJNU-UHFFFAOYSA-N
XLogP2.07
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 98192387
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 98199959
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-[(2-carbamoylphenoxy)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 98229547
3-phenyl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 6472637
3-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 22521001
N-[(2S)-2-hydroxy-2-phenylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
CID 42569243
N-(4-fluorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
CID 22520978
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 98886141
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chlorobenzamide
CID 3931382
N-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 99794690
N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 99794688
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 51721595

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide (CID 42649348) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide is O=C(NCC1CC2C=CC1C2)c1nc(-c2ccncc2)no1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is ACVWIQIXWFXJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-15(18-9-13-8-10-1-2-12(13)7-10)16-19-14(20-22-16)11-3-5-17-6-4-11/h1-6,10,12-13H,7-9H2,(H,18,21).
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 42649348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).