2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-4-methyl-1,3-oxazole

C10H13NO — CID 67986504

IUPAC2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-4-methyl-1,3-oxazole
SMILESCc1coc(C2[C@H]3CCC[C@@H]23)n1
InChIInChI=1S/C10H13NO/c1-6-5-12-10(11-6)9-7-3-2-4-8(7)9/h5,7-9H,2-4H2,1H3/t7-,8+,9?
InChIKeyHUUXIFJVNXHEEL-JVHMLUBASA-N
MW163.22 g/mol
LogP2.50
Rot. Bonds1

About 2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-4-methyl-1,3-oxazole

2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-4-methyl-1,3-oxazole (PubChem CID 67986504) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-4-methyl-1,3-oxazole
PubChem CID67986504
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-4-methyl-1,3-oxazole
SMILESCc1coc(C2[C@H]3CCC[C@@H]23)n1
InChIInChI=1S/C10H13NO/c1-6-5-12-10(11-6)9-7-3-2-4-8(7)9/h5,7-9H,2-4H2,1H3/t7-,8+,9?
InChIKeyHUUXIFJVNXHEEL-JVHMLUBASA-N
XLogP2.50
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-4-methyl-1,3-oxazole?
The IUPAC name of 2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-4-methyl-1,3-oxazole (CID 67986504) is 2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-4-methyl-1,3-oxazole?
The canonical SMILES for 2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-4-methyl-1,3-oxazole is Cc1coc(C2[C@H]3CCC[C@@H]23)n1.
What is the InChIKey of 2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-4-methyl-1,3-oxazole?
The InChIKey is HUUXIFJVNXHEEL-JVHMLUBASA-N. The full InChI is InChI=1S/C10H13NO/c1-6-5-12-10(11-6)9-7-3-2-4-8(7)9/h5,7-9H,2-4H2,1H3/t7-,8+,9?.
What are the key properties of 2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-4-methyl-1,3-oxazole?
2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-4-methyl-1,3-oxazole has a molecular weight of 163.22 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-4-methyl-1,3-oxazole is sourced from PubChem (CID 67986504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).