2-(2-bicyclo[2.2.1]hept-2-enyl)-1,3-oxazole

C10H11NO — CID 70188201

IUPAC2-(2-bicyclo[2.2.1]hept-2-enyl)-1,3-oxazole
SMILESC1=C(c2ncco2)C2CCC1C2
InChIInChI=1S/C10H11NO/c1-2-8-5-7(1)6-9(8)10-11-3-4-12-10/h3-4,6-8H,1-2,5H2
InChIKeyBQAYUEJQMRHETH-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.49
Rot. Bonds1

About 2-(2-bicyclo[2.2.1]hept-2-enyl)-1,3-oxazole

2-(2-bicyclo[2.2.1]hept-2-enyl)-1,3-oxazole (PubChem CID 70188201) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-2-enyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-2-enyl)-1,3-oxazole
PubChem CID70188201
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2-(2-bicyclo[2.2.1]hept-2-enyl)-1,3-oxazole
SMILESC1=C(c2ncco2)C2CCC1C2
InChIInChI=1S/C10H11NO/c1-2-8-5-7(1)6-9(8)10-11-3-4-12-10/h3-4,6-8H,1-2,5H2
InChIKeyBQAYUEJQMRHETH-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-2-enyl)-1,3-oxazole?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-2-enyl)-1,3-oxazole (CID 70188201) is 2-(2-bicyclo[2.2.1]hept-2-enyl)-1,3-oxazole.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-2-enyl)-1,3-oxazole?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-2-enyl)-1,3-oxazole is C1=C(c2ncco2)C2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-2-enyl)-1,3-oxazole?
The InChIKey is BQAYUEJQMRHETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-2-8-5-7(1)6-9(8)10-11-3-4-12-10/h3-4,6-8H,1-2,5H2.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-2-enyl)-1,3-oxazole?
2-(2-bicyclo[2.2.1]hept-2-enyl)-1,3-oxazole has a molecular weight of 161.20 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-2-enyl)-1,3-oxazole is sourced from PubChem (CID 70188201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).