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

C14H13NOS — CID 6539915

IUPAC(4S)-4-benzyl-2-thiophen-3-yl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C[C@H]2COC(c3ccsc3)=N2)cc1
InChIInChI=1S/C14H13NOS/c1-2-4-11(5-3-1)8-13-9-16-14(15-13)12-6-7-17-10-12/h1-7,10,13H,8-9H2/t13-/m0/s1
InChIKeyHUHVJSXYULHZJW-ZDUSSCGKSA-N
MW243.33 g/mol
LogP3.14
Rot. Bonds3

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

(4S)-4-benzyl-2-thiophen-3-yl-4,5-dihydro-1,3-oxazole (PubChem CID 6539915) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is (4S)-4-benzyl-2-thiophen-3-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-benzyl-2-thiophen-3-yl-4,5-dihydro-1,3-oxazole
PubChem CID6539915
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name(4S)-4-benzyl-2-thiophen-3-yl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C[C@H]2COC(c3ccsc3)=N2)cc1
InChIInChI=1S/C14H13NOS/c1-2-4-11(5-3-1)8-13-9-16-14(15-13)12-6-7-17-10-12/h1-7,10,13H,8-9H2/t13-/m0/s1
InChIKeyHUHVJSXYULHZJW-ZDUSSCGKSA-N
XLogP3.14
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-2-thiophen-3-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-benzyl-2-thiophen-3-yl-4,5-dihydro-1,3-oxazole (CID 6539915) is (4S)-4-benzyl-2-thiophen-3-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-benzyl-2-thiophen-3-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-benzyl-2-thiophen-3-yl-4,5-dihydro-1,3-oxazole is c1ccc(C[C@H]2COC(c3ccsc3)=N2)cc1.
What is the InChIKey of (4S)-4-benzyl-2-thiophen-3-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is HUHVJSXYULHZJW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H13NOS/c1-2-4-11(5-3-1)8-13-9-16-14(15-13)12-6-7-17-10-12/h1-7,10,13H,8-9H2/t13-/m0/s1.
What are the key properties of (4S)-4-benzyl-2-thiophen-3-yl-4,5-dihydro-1,3-oxazole?
(4S)-4-benzyl-2-thiophen-3-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 243.33 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-2-thiophen-3-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 6539915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).