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

C7H7NOS — CID 12732784

IUPAC3-thiophen-2-yl-4,5-dihydro-1,2-oxazole
SMILESc1csc(C2=NOCC2)c1
InChIInChI=1S/C7H7NOS/c1-2-7(10-5-1)6-3-4-9-8-6/h1-2,5H,3-4H2
InChIKeyHKDZOXYTRKMEAG-UHFFFAOYSA-N
MW153.21 g/mol
LogP1.87
Rot. Bonds1

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

3-thiophen-2-yl-4,5-dihydro-1,2-oxazole (PubChem CID 12732784) has the molecular formula C7H7NOS and a molecular weight of 153.21 g/mol. Its IUPAC name is 3-thiophen-2-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-thiophen-2-yl-4,5-dihydro-1,2-oxazole
PubChem CID12732784
Molecular FormulaC7H7NOS
Molecular Weight153.21 g/mol
Exact Mass153.02
IUPAC Name3-thiophen-2-yl-4,5-dihydro-1,2-oxazole
SMILESc1csc(C2=NOCC2)c1
InChIInChI=1S/C7H7NOS/c1-2-7(10-5-1)6-3-4-9-8-6/h1-2,5H,3-4H2
InChIKeyHKDZOXYTRKMEAG-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-thiophen-2-yl-4,5-dihydro-1,2-oxazole (CID 12732784) is 3-thiophen-2-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-thiophen-2-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-thiophen-2-yl-4,5-dihydro-1,2-oxazole is c1csc(C2=NOCC2)c1.
What is the InChIKey of 3-thiophen-2-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is HKDZOXYTRKMEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NOS/c1-2-7(10-5-1)6-3-4-9-8-6/h1-2,5H,3-4H2.
What are the key properties of 3-thiophen-2-yl-4,5-dihydro-1,2-oxazole?
3-thiophen-2-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 153.21 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 12732784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).