(4S)-2-(5-chlorothiophen-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole

C13H10ClNOS — CID 132555473

IUPAC(4S)-2-(5-chlorothiophen-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESClc1ccc(C2=N[C@@H](c3ccccc3)CO2)s1
InChIInChI=1S/C13H10ClNOS/c14-12-7-6-11(17-12)13-15-10(8-16-13)9-4-2-1-3-5-9/h1-7,10H,8H2/t10-/m1/s1
InChIKeyLVSGCGJEQPQKNR-SNVBAGLBSA-N
MW263.75 g/mol
LogP3.92
Rot. Bonds2

About (4S)-2-(5-chlorothiophen-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole

(4S)-2-(5-chlorothiophen-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 132555473) has the molecular formula C13H10ClNOS and a molecular weight of 263.75 g/mol. Its IUPAC name is (4S)-2-(5-chlorothiophen-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-(5-chlorothiophen-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID132555473
Molecular FormulaC13H10ClNOS
Molecular Weight263.75 g/mol
Exact Mass263.02
IUPAC Name(4S)-2-(5-chlorothiophen-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESClc1ccc(C2=N[C@@H](c3ccccc3)CO2)s1
InChIInChI=1S/C13H10ClNOS/c14-12-7-6-11(17-12)13-15-10(8-16-13)9-4-2-1-3-5-9/h1-7,10H,8H2/t10-/m1/s1
InChIKeyLVSGCGJEQPQKNR-SNVBAGLBSA-N
XLogP3.92
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(5-chlorothiophen-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-(5-chlorothiophen-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole (CID 132555473) is (4S)-2-(5-chlorothiophen-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-(5-chlorothiophen-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-(5-chlorothiophen-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole is Clc1ccc(C2=N[C@@H](c3ccccc3)CO2)s1.
What is the InChIKey of (4S)-2-(5-chlorothiophen-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is LVSGCGJEQPQKNR-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H10ClNOS/c14-12-7-6-11(17-12)13-15-10(8-16-13)9-4-2-1-3-5-9/h1-7,10H,8H2/t10-/m1/s1.
What are the key properties of (4S)-2-(5-chlorothiophen-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole?
(4S)-2-(5-chlorothiophen-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 263.75 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(5-chlorothiophen-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 132555473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).