2H-cyclopenta[d][1,3]oxazole

C6H5NO — CID 67750441

IUPAC2H-cyclopenta[d][1,3]oxazole
SMILESC1=CC2=NCOC2=C1
InChIInChI=1S/C6H5NO/c1-2-5-6(3-1)8-4-7-5/h1-3H,4H2
InChIKeyLHIRKGYYQGUYFI-UHFFFAOYSA-N
MW107.11 g/mol
LogP0.87
Rot. Bonds

About 2H-cyclopenta[d][1,3]oxazole

2H-cyclopenta[d][1,3]oxazole (PubChem CID 67750441) has the molecular formula C6H5NO and a molecular weight of 107.11 g/mol. Its IUPAC name is 2H-cyclopenta[d][1,3]oxazole.

Molecular Properties

Compound Name2H-cyclopenta[d][1,3]oxazole
PubChem CID67750441
Molecular FormulaC6H5NO
Molecular Weight107.11 g/mol
Exact Mass107.04
IUPAC Name2H-cyclopenta[d][1,3]oxazole
SMILESC1=CC2=NCOC2=C1
InChIInChI=1S/C6H5NO/c1-2-5-6(3-1)8-4-7-5/h1-3H,4H2
InChIKeyLHIRKGYYQGUYFI-UHFFFAOYSA-N
XLogP0.87
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.11
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-cyclopenta[d][1,3]oxazole?
The IUPAC name of 2H-cyclopenta[d][1,3]oxazole (CID 67750441) is 2H-cyclopenta[d][1,3]oxazole.
What is the SMILES notation for 2H-cyclopenta[d][1,3]oxazole?
The canonical SMILES for 2H-cyclopenta[d][1,3]oxazole is C1=CC2=NCOC2=C1.
What is the InChIKey of 2H-cyclopenta[d][1,3]oxazole?
The InChIKey is LHIRKGYYQGUYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO/c1-2-5-6(3-1)8-4-7-5/h1-3H,4H2.
What are the key properties of 2H-cyclopenta[d][1,3]oxazole?
2H-cyclopenta[d][1,3]oxazole has a molecular weight of 107.11 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-cyclopenta[d][1,3]oxazole is sourced from PubChem (CID 67750441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).