2-ethyl-6,7-dihydro-1,3-benzoxazole

C9H11NO — CID 123666826

IUPAC2-ethyl-6,7-dihydro-1,3-benzoxazole
SMILESCCc1nc2c(o1)CCC=C2
InChIInChI=1S/C9H11NO/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3,5H,2,4,6H2,1H3
InChIKeyYSQGVSXWJARAFW-UHFFFAOYSA-N
MW149.19 g/mol
LogP2.20
Rot. Bonds1

About 2-ethyl-6,7-dihydro-1,3-benzoxazole

2-ethyl-6,7-dihydro-1,3-benzoxazole (PubChem CID 123666826) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-ethyl-6,7-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Name2-ethyl-6,7-dihydro-1,3-benzoxazole
PubChem CID123666826
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-ethyl-6,7-dihydro-1,3-benzoxazole
SMILESCCc1nc2c(o1)CCC=C2
InChIInChI=1S/C9H11NO/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3,5H,2,4,6H2,1H3
InChIKeyYSQGVSXWJARAFW-UHFFFAOYSA-N
XLogP2.20
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6,7-dihydro-1,3-benzoxazole?
The IUPAC name of 2-ethyl-6,7-dihydro-1,3-benzoxazole (CID 123666826) is 2-ethyl-6,7-dihydro-1,3-benzoxazole.
What is the SMILES notation for 2-ethyl-6,7-dihydro-1,3-benzoxazole?
The canonical SMILES for 2-ethyl-6,7-dihydro-1,3-benzoxazole is CCc1nc2c(o1)CCC=C2.
What is the InChIKey of 2-ethyl-6,7-dihydro-1,3-benzoxazole?
The InChIKey is YSQGVSXWJARAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3,5H,2,4,6H2,1H3.
What are the key properties of 2-ethyl-6,7-dihydro-1,3-benzoxazole?
2-ethyl-6,7-dihydro-1,3-benzoxazole has a molecular weight of 149.19 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6,7-dihydro-1,3-benzoxazole is sourced from PubChem (CID 123666826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).