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

C13H11NOS — CID 15643579

IUPAC(4S)-4-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@H]2COC(c3cccs3)=N2)cc1
InChIInChI=1S/C13H11NOS/c1-2-5-10(6-3-1)11-9-15-13(14-11)12-7-4-8-16-12/h1-8,11H,9H2/t11-/m1/s1
InChIKeyBZXDHTYWKPOWQO-LLVKDONJSA-N
MW229.30 g/mol
LogP3.27
Rot. Bonds2

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

(4S)-4-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 15643579) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is (4S)-4-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID15643579
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name(4S)-4-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@H]2COC(c3cccs3)=N2)cc1
InChIInChI=1S/C13H11NOS/c1-2-5-10(6-3-1)11-9-15-13(14-11)12-7-4-8-16-12/h1-8,11H,9H2/t11-/m1/s1
InChIKeyBZXDHTYWKPOWQO-LLVKDONJSA-N
XLogP3.27
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazole (CID 15643579) is (4S)-4-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazole is c1ccc([C@H]2COC(c3cccs3)=N2)cc1.
What is the InChIKey of (4S)-4-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is BZXDHTYWKPOWQO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H11NOS/c1-2-5-10(6-3-1)11-9-15-13(14-11)12-7-4-8-16-12/h1-8,11H,9H2/t11-/m1/s1.
What are the key properties of (4S)-4-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-4-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 229.30 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15643579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).