2-thiophen-2-yl-2,3-dihydro-1,3-benzoxazole

C11H9NOS — CID 2806717

IUPAC2-thiophen-2-yl-2,3-dihydro-1,3-benzoxazole
SMILESc1csc(C2Nc3ccccc3O2)c1
InChIInChI=1S/C11H9NOS/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7,11-12H
InChIKeyKNNBQQQFNUWSAG-UHFFFAOYSA-N
MW203.27 g/mol
LogP3.25
Rot. Bonds1

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

2-thiophen-2-yl-2,3-dihydro-1,3-benzoxazole (PubChem CID 2806717) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-thiophen-2-yl-2,3-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Name2-thiophen-2-yl-2,3-dihydro-1,3-benzoxazole
PubChem CID2806717
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name2-thiophen-2-yl-2,3-dihydro-1,3-benzoxazole
SMILESc1csc(C2Nc3ccccc3O2)c1
InChIInChI=1S/C11H9NOS/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7,11-12H
InChIKeyKNNBQQQFNUWSAG-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-2,3-dihydro-1,3-benzoxazole?
The IUPAC name of 2-thiophen-2-yl-2,3-dihydro-1,3-benzoxazole (CID 2806717) is 2-thiophen-2-yl-2,3-dihydro-1,3-benzoxazole.
What is the SMILES notation for 2-thiophen-2-yl-2,3-dihydro-1,3-benzoxazole?
The canonical SMILES for 2-thiophen-2-yl-2,3-dihydro-1,3-benzoxazole is c1csc(C2Nc3ccccc3O2)c1.
What is the InChIKey of 2-thiophen-2-yl-2,3-dihydro-1,3-benzoxazole?
The InChIKey is KNNBQQQFNUWSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7,11-12H.
What are the key properties of 2-thiophen-2-yl-2,3-dihydro-1,3-benzoxazole?
2-thiophen-2-yl-2,3-dihydro-1,3-benzoxazole has a molecular weight of 203.27 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-2,3-dihydro-1,3-benzoxazole is sourced from PubChem (CID 2806717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).