7H-cyclohepta[d][1,2]oxazole

C8H7NO — CID 90957562

IUPAC7H-cyclohepta[d][1,2]oxazole
SMILESC1=CCC=c2oncc2=C1
InChIInChI=1S/C8H7NO/c1-2-4-7-6-9-10-8(7)5-3-1/h1-2,4-6H,3H2
InChIKeyJTJKZBQDDOBFHR-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.20
Rot. Bonds

About 7H-cyclohepta[d][1,2]oxazole

7H-cyclohepta[d][1,2]oxazole (PubChem CID 90957562) has the molecular formula C8H7NO and a molecular weight of 133.15 g/mol. Its IUPAC name is 7H-cyclohepta[d][1,2]oxazole.

Molecular Properties

Compound Name7H-cyclohepta[d][1,2]oxazole
PubChem CID90957562
Molecular FormulaC8H7NO
Molecular Weight133.15 g/mol
Exact Mass133.05
IUPAC Name7H-cyclohepta[d][1,2]oxazole
SMILESC1=CCC=c2oncc2=C1
InChIInChI=1S/C8H7NO/c1-2-4-7-6-9-10-8(7)5-3-1/h1-2,4-6H,3H2
InChIKeyJTJKZBQDDOBFHR-UHFFFAOYSA-N
XLogP0.20
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 ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7H-cyclohepta[d][1,2]oxazole?
The IUPAC name of 7H-cyclohepta[d][1,2]oxazole (CID 90957562) is 7H-cyclohepta[d][1,2]oxazole.
What is the SMILES notation for 7H-cyclohepta[d][1,2]oxazole?
The canonical SMILES for 7H-cyclohepta[d][1,2]oxazole is C1=CCC=c2oncc2=C1.
What is the InChIKey of 7H-cyclohepta[d][1,2]oxazole?
The InChIKey is JTJKZBQDDOBFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO/c1-2-4-7-6-9-10-8(7)5-3-1/h1-2,4-6H,3H2.
What are the key properties of 7H-cyclohepta[d][1,2]oxazole?
7H-cyclohepta[d][1,2]oxazole has a molecular weight of 133.15 g/mol, XLogP of 0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-cyclohepta[d][1,2]oxazole is sourced from PubChem (CID 90957562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).