2,3-dihydro-1,2-benzoxazole

C7H7NO — CID 18782711

IUPAC2,3-dihydro-1,2-benzoxazole
SMILESc1ccc2c(c1)CNO2
InChIInChI=1S/C7H7NO/c1-2-4-7-6(3-1)5-8-9-7/h1-4,8H,5H2
InChIKeyGCUDWDNUXMSUIK-UHFFFAOYSA-N
MW121.14 g/mol
LogP1.08
Rot. Bonds

About 2,3-dihydro-1,2-benzoxazole

2,3-dihydro-1,2-benzoxazole (PubChem CID 18782711) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is 2,3-dihydro-1,2-benzoxazole.

Molecular Properties

Compound Name2,3-dihydro-1,2-benzoxazole
PubChem CID18782711
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name2,3-dihydro-1,2-benzoxazole
SMILESc1ccc2c(c1)CNO2
InChIInChI=1S/C7H7NO/c1-2-4-7-6(3-1)5-8-9-7/h1-4,8H,5H2
InChIKeyGCUDWDNUXMSUIK-UHFFFAOYSA-N
XLogP1.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,2-benzoxazole?
The IUPAC name of 2,3-dihydro-1,2-benzoxazole (CID 18782711) is 2,3-dihydro-1,2-benzoxazole.
What is the SMILES notation for 2,3-dihydro-1,2-benzoxazole?
The canonical SMILES for 2,3-dihydro-1,2-benzoxazole is c1ccc2c(c1)CNO2.
What is the InChIKey of 2,3-dihydro-1,2-benzoxazole?
The InChIKey is GCUDWDNUXMSUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO/c1-2-4-7-6(3-1)5-8-9-7/h1-4,8H,5H2.
What are the key properties of 2,3-dihydro-1,2-benzoxazole?
2,3-dihydro-1,2-benzoxazole has a molecular weight of 121.14 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,2-benzoxazole is sourced from PubChem (CID 18782711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).