5-thiophen-3-yl-4,5-dihydro-1,2-oxazole

C7H7NOS — CID 173106660

IUPAC5-thiophen-3-yl-4,5-dihydro-1,2-oxazole
SMILESC1=NOC(c2ccsc2)C1
InChIInChI=1S/C7H7NOS/c1-3-8-9-7(1)6-2-4-10-5-6/h2-5,7H,1H2
InChIKeyHSUPEFZVGACMNU-UHFFFAOYSA-N
MW153.21 g/mol
LogP2.20
Rot. Bonds1

About 5-thiophen-3-yl-4,5-dihydro-1,2-oxazole

5-thiophen-3-yl-4,5-dihydro-1,2-oxazole (PubChem CID 173106660) has the molecular formula C7H7NOS and a molecular weight of 153.21 g/mol. Its IUPAC name is 5-thiophen-3-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-thiophen-3-yl-4,5-dihydro-1,2-oxazole
PubChem CID173106660
Molecular FormulaC7H7NOS
Molecular Weight153.21 g/mol
Exact Mass153.02
IUPAC Name5-thiophen-3-yl-4,5-dihydro-1,2-oxazole
SMILESC1=NOC(c2ccsc2)C1
InChIInChI=1S/C7H7NOS/c1-3-8-9-7(1)6-2-4-10-5-6/h2-5,7H,1H2
InChIKeyHSUPEFZVGACMNU-UHFFFAOYSA-N
XLogP2.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-3-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-thiophen-3-yl-4,5-dihydro-1,2-oxazole (CID 173106660) is 5-thiophen-3-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-thiophen-3-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-thiophen-3-yl-4,5-dihydro-1,2-oxazole is C1=NOC(c2ccsc2)C1.
What is the InChIKey of 5-thiophen-3-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is HSUPEFZVGACMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NOS/c1-3-8-9-7(1)6-2-4-10-5-6/h2-5,7H,1H2.
What are the key properties of 5-thiophen-3-yl-4,5-dihydro-1,2-oxazole?
5-thiophen-3-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 153.21 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-3-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 173106660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).