6H-cyclohepta[d][1,3]oxazole

C8H7NO — CID 90920052

IUPAC6H-cyclohepta[d][1,3]oxazole
SMILESC1=Cc2ncoc2C=CC1
InChIInChI=1S/C8H7NO/c1-2-4-7-8(5-3-1)10-6-9-7/h2-6H,1H2
InChIKeyFVWOIRBGXRXVJB-UHFFFAOYSA-N
MW133.15 g/mol
LogP2.10
Rot. Bonds

About 6H-cyclohepta[d][1,3]oxazole

6H-cyclohepta[d][1,3]oxazole (PubChem CID 90920052) has the molecular formula C8H7NO and a molecular weight of 133.15 g/mol. Its IUPAC name is 6H-cyclohepta[d][1,3]oxazole.

Molecular Properties

Compound Name6H-cyclohepta[d][1,3]oxazole
PubChem CID90920052
Molecular FormulaC8H7NO
Molecular Weight133.15 g/mol
Exact Mass133.05
IUPAC Name6H-cyclohepta[d][1,3]oxazole
SMILESC1=Cc2ncoc2C=CC1
InChIInChI=1S/C8H7NO/c1-2-4-7-8(5-3-1)10-6-9-7/h2-6H,1H2
InChIKeyFVWOIRBGXRXVJB-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6H-cyclohepta[d][1,3]oxazole?
The IUPAC name of 6H-cyclohepta[d][1,3]oxazole (CID 90920052) is 6H-cyclohepta[d][1,3]oxazole.
What is the SMILES notation for 6H-cyclohepta[d][1,3]oxazole?
The canonical SMILES for 6H-cyclohepta[d][1,3]oxazole is C1=Cc2ncoc2C=CC1.
What is the InChIKey of 6H-cyclohepta[d][1,3]oxazole?
The InChIKey is FVWOIRBGXRXVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO/c1-2-4-7-8(5-3-1)10-6-9-7/h2-6H,1H2.
What are the key properties of 6H-cyclohepta[d][1,3]oxazole?
6H-cyclohepta[d][1,3]oxazole has a molecular weight of 133.15 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-cyclohepta[d][1,3]oxazole is sourced from PubChem (CID 90920052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).