7-[(E)-prop-1-enyl]-1,3-benzoxazole

C10H9NO — CID 90277918

IUPAC7-[(E)-prop-1-enyl]-1,3-benzoxazole
SMILESC/C=C/c1cccc2ncoc12
InChIInChI=1S/C10H9NO/c1-2-4-8-5-3-6-9-10(8)12-7-11-9/h2-7H,1H3/b4-2+
InChIKeyLWZLYBMZEMPSML-DUXPYHPUSA-N
MW159.19 g/mol
LogP2.86
Rot. Bonds1

About 7-[(E)-prop-1-enyl]-1,3-benzoxazole

7-[(E)-prop-1-enyl]-1,3-benzoxazole (PubChem CID 90277918) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 7-[(E)-prop-1-enyl]-1,3-benzoxazole.

Molecular Properties

Compound Name7-[(E)-prop-1-enyl]-1,3-benzoxazole
PubChem CID90277918
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name7-[(E)-prop-1-enyl]-1,3-benzoxazole
SMILESC/C=C/c1cccc2ncoc12
InChIInChI=1S/C10H9NO/c1-2-4-8-5-3-6-9-10(8)12-7-11-9/h2-7H,1H3/b4-2+
InChIKeyLWZLYBMZEMPSML-DUXPYHPUSA-N
XLogP2.86
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[(E)-prop-1-enyl]-1,3-benzoxazole?
The IUPAC name of 7-[(E)-prop-1-enyl]-1,3-benzoxazole (CID 90277918) is 7-[(E)-prop-1-enyl]-1,3-benzoxazole.
What is the SMILES notation for 7-[(E)-prop-1-enyl]-1,3-benzoxazole?
The canonical SMILES for 7-[(E)-prop-1-enyl]-1,3-benzoxazole is C/C=C/c1cccc2ncoc12.
What is the InChIKey of 7-[(E)-prop-1-enyl]-1,3-benzoxazole?
The InChIKey is LWZLYBMZEMPSML-DUXPYHPUSA-N. The full InChI is InChI=1S/C10H9NO/c1-2-4-8-5-3-6-9-10(8)12-7-11-9/h2-7H,1H3/b4-2+.
What are the key properties of 7-[(E)-prop-1-enyl]-1,3-benzoxazole?
7-[(E)-prop-1-enyl]-1,3-benzoxazole has a molecular weight of 159.19 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-prop-1-enyl]-1,3-benzoxazole is sourced from PubChem (CID 90277918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).