6,7-dihydro-1,3-benzoxazole

C7H7NO — CID 20558214

IUPAC6,7-dihydro-1,3-benzoxazole
SMILESC1=Cc2ncoc2CC1
InChIInChI=1S/C7H7NO/c1-2-4-7-6(3-1)8-5-9-7/h1,3,5H,2,4H2
InChIKeyCGPAFGCGCHGRRY-UHFFFAOYSA-N
MW121.14 g/mol
LogP1.63
Rot. Bonds

About 6,7-dihydro-1,3-benzoxazole

6,7-dihydro-1,3-benzoxazole (PubChem CID 20558214) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is 6,7-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Name6,7-dihydro-1,3-benzoxazole
PubChem CID20558214
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name6,7-dihydro-1,3-benzoxazole
SMILESC1=Cc2ncoc2CC1
InChIInChI=1S/C7H7NO/c1-2-4-7-6(3-1)8-5-9-7/h1,3,5H,2,4H2
InChIKeyCGPAFGCGCHGRRY-UHFFFAOYSA-N
XLogP1.63
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-1,3-benzoxazole?
The IUPAC name of 6,7-dihydro-1,3-benzoxazole (CID 20558214) is 6,7-dihydro-1,3-benzoxazole.
What is the SMILES notation for 6,7-dihydro-1,3-benzoxazole?
The canonical SMILES for 6,7-dihydro-1,3-benzoxazole is C1=Cc2ncoc2CC1.
What is the InChIKey of 6,7-dihydro-1,3-benzoxazole?
The InChIKey is CGPAFGCGCHGRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO/c1-2-4-7-6(3-1)8-5-9-7/h1,3,5H,2,4H2.
What are the key properties of 6,7-dihydro-1,3-benzoxazole?
6,7-dihydro-1,3-benzoxazole has a molecular weight of 121.14 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-1,3-benzoxazole is sourced from PubChem (CID 20558214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).