(5R)-5-(chloromethyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole

C8H8ClNOS — CID 99994091

IUPAC(5R)-5-(chloromethyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole
SMILESClC[C@H]1CC(c2cccs2)=NO1
InChIInChI=1S/C8H8ClNOS/c9-5-6-4-7(10-11-6)8-2-1-3-12-8/h1-3,6H,4-5H2/t6-/m1/s1
InChIKeyDXVKJMZYZBIVKN-ZCFIWIBFSA-N
MW201.68 g/mol
LogP2.48
Rot. Bonds2

About (5R)-5-(chloromethyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole

(5R)-5-(chloromethyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole (PubChem CID 99994091) has the molecular formula C8H8ClNOS and a molecular weight of 201.68 g/mol. Its IUPAC name is (5R)-5-(chloromethyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-5-(chloromethyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole
PubChem CID99994091
Molecular FormulaC8H8ClNOS
Molecular Weight201.68 g/mol
Exact Mass201.00
IUPAC Name(5R)-5-(chloromethyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole
SMILESClC[C@H]1CC(c2cccs2)=NO1
InChIInChI=1S/C8H8ClNOS/c9-5-6-4-7(10-11-6)8-2-1-3-12-8/h1-3,6H,4-5H2/t6-/m1/s1
InChIKeyDXVKJMZYZBIVKN-ZCFIWIBFSA-N
XLogP2.48
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.68
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(chloromethyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-5-(chloromethyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole (CID 99994091) is (5R)-5-(chloromethyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-5-(chloromethyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-5-(chloromethyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole is ClC[C@H]1CC(c2cccs2)=NO1.
What is the InChIKey of (5R)-5-(chloromethyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is DXVKJMZYZBIVKN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H8ClNOS/c9-5-6-4-7(10-11-6)8-2-1-3-12-8/h1-3,6H,4-5H2/t6-/m1/s1.
What are the key properties of (5R)-5-(chloromethyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole?
(5R)-5-(chloromethyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 201.68 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(chloromethyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 99994091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).