5-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,2-oxazole

C10H11NO — CID 131855201

IUPAC5-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,2-oxazole
SMILESC1=C[C@@H]2C[C@H]1C[C@H]2c1ccno1
InChIInChI=1S/C10H11NO/c1-2-8-5-7(1)6-9(8)10-3-4-11-12-10/h1-4,7-9H,5-6H2/t7-,8+,9+/m0/s1
InChIKeyPSAGXWGWBDNHMM-DJLDLDEBSA-N
MW161.20 g/mol
LogP2.35
Rot. Bonds1

About 5-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,2-oxazole

5-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,2-oxazole (PubChem CID 131855201) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 5-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,2-oxazole
PubChem CID131855201
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name5-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,2-oxazole
SMILESC1=C[C@@H]2C[C@H]1C[C@H]2c1ccno1
InChIInChI=1S/C10H11NO/c1-2-8-5-7(1)6-9(8)10-3-4-11-12-10/h1-4,7-9H,5-6H2/t7-,8+,9+/m0/s1
InChIKeyPSAGXWGWBDNHMM-DJLDLDEBSA-N
XLogP2.35
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,2-oxazole?
The IUPAC name of 5-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,2-oxazole (CID 131855201) is 5-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,2-oxazole.
What is the SMILES notation for 5-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,2-oxazole?
The canonical SMILES for 5-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,2-oxazole is C1=C[C@@H]2C[C@H]1C[C@H]2c1ccno1.
What is the InChIKey of 5-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,2-oxazole?
The InChIKey is PSAGXWGWBDNHMM-DJLDLDEBSA-N. The full InChI is InChI=1S/C10H11NO/c1-2-8-5-7(1)6-9(8)10-3-4-11-12-10/h1-4,7-9H,5-6H2/t7-,8+,9+/m0/s1.
What are the key properties of 5-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,2-oxazole?
5-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,2-oxazole has a molecular weight of 161.20 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,2-oxazole is sourced from PubChem (CID 131855201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).