8H-cyclohepta[d][1,3]oxazole

C8H7NO — CID 165359403

IUPAC8H-cyclohepta[d][1,3]oxazole
SMILESC1=CCc2ocnc2C=C1
InChIInChI=1S/C8H7NO/c1-2-4-7-8(5-3-1)10-6-9-7/h1-4,6H,5H2
InChIKeyHBLUDSSDYJSUFS-UHFFFAOYSA-N
MW133.15 g/mol
LogP1.80
Rot. Bonds

About 8H-cyclohepta[d][1,3]oxazole

8H-cyclohepta[d][1,3]oxazole (PubChem CID 165359403) has the molecular formula C8H7NO and a molecular weight of 133.15 g/mol. Its IUPAC name is 8H-cyclohepta[d][1,3]oxazole.

Molecular Properties

Compound Name8H-cyclohepta[d][1,3]oxazole
PubChem CID165359403
Molecular FormulaC8H7NO
Molecular Weight133.15 g/mol
Exact Mass133.05
IUPAC Name8H-cyclohepta[d][1,3]oxazole
SMILESC1=CCc2ocnc2C=C1
InChIInChI=1S/C8H7NO/c1-2-4-7-8(5-3-1)10-6-9-7/h1-4,6H,5H2
InChIKeyHBLUDSSDYJSUFS-UHFFFAOYSA-N
XLogP1.80
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8H-cyclohepta[d][1,3]oxazole?
The IUPAC name of 8H-cyclohepta[d][1,3]oxazole (CID 165359403) is 8H-cyclohepta[d][1,3]oxazole.
What is the SMILES notation for 8H-cyclohepta[d][1,3]oxazole?
The canonical SMILES for 8H-cyclohepta[d][1,3]oxazole is C1=CCc2ocnc2C=C1.
What is the InChIKey of 8H-cyclohepta[d][1,3]oxazole?
The InChIKey is HBLUDSSDYJSUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO/c1-2-4-7-8(5-3-1)10-6-9-7/h1-4,6H,5H2.
What are the key properties of 8H-cyclohepta[d][1,3]oxazole?
8H-cyclohepta[d][1,3]oxazole has a molecular weight of 133.15 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8H-cyclohepta[d][1,3]oxazole is sourced from PubChem (CID 165359403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).