5-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole

C9H13NO — CID 70309556

IUPAC5-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole
SMILESCCC1CCc2oncc2C1
InChIInChI=1S/C9H13NO/c1-2-7-3-4-9-8(5-7)6-10-11-9/h6-7H,2-5H2,1H3
InChIKeyOMXQMORDLQJJTP-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.19
Rot. Bonds1

About 5-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole

5-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole (PubChem CID 70309556) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole.

Molecular Properties

Compound Name5-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole
PubChem CID70309556
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name5-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole
SMILESCCC1CCc2oncc2C1
InChIInChI=1S/C9H13NO/c1-2-7-3-4-9-8(5-7)6-10-11-9/h6-7H,2-5H2,1H3
InChIKeyOMXQMORDLQJJTP-UHFFFAOYSA-N
XLogP2.19
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole?
The IUPAC name of 5-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole (CID 70309556) is 5-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole.
What is the SMILES notation for 5-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole?
The canonical SMILES for 5-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole is CCC1CCc2oncc2C1.
What is the InChIKey of 5-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole?
The InChIKey is OMXQMORDLQJJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-7-3-4-9-8(5-7)6-10-11-9/h6-7H,2-5H2,1H3.
What are the key properties of 5-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole?
5-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole has a molecular weight of 151.21 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole is sourced from PubChem (CID 70309556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).