5-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole

C14H14N4O — CID 39796778

IUPAC5-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESC1=C[C@H]2C[C@@H]1C[C@H]2Cc1nc(-c2cnccn2)no1
InChIInChI=1S/C14H14N4O/c1-2-10-5-9(1)6-11(10)7-13-17-14(18-19-13)12-8-15-3-4-16-12/h1-4,8-11H,5-7H2/t9-,10+,11+/m1/s1
InChIKeyDNYQCRHCMIMAJW-VWYCJHECSA-N
MW254.29 g/mol
LogP2.28
Rot. Bonds3

About 5-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole

5-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 39796778) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID39796778
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESC1=C[C@H]2C[C@@H]1C[C@H]2Cc1nc(-c2cnccn2)no1
InChIInChI=1S/C14H14N4O/c1-2-10-5-9(1)6-11(10)7-13-17-14(18-19-13)12-8-15-3-4-16-12/h1-4,8-11H,5-7H2/t9-,10+,11+/m1/s1
InChIKeyDNYQCRHCMIMAJW-VWYCJHECSA-N
XLogP2.28
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole (CID 39796778) is 5-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole is C1=C[C@H]2C[C@@H]1C[C@H]2Cc1nc(-c2cnccn2)no1.
What is the InChIKey of 5-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is DNYQCRHCMIMAJW-VWYCJHECSA-N. The full InChI is InChI=1S/C14H14N4O/c1-2-10-5-9(1)6-11(10)7-13-17-14(18-19-13)12-8-15-3-4-16-12/h1-4,8-11H,5-7H2/t9-,10+,11+/m1/s1.
What are the key properties of 5-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
5-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 254.29 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 39796778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).