2-(4,5-dihydro-1,3-thiazol-4-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole

C18H16N2OS — CID 90256216

IUPAC2-(4,5-dihydro-1,3-thiazol-4-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
SMILESC1=NC(C2=NC(c3ccccc3)C(c3ccccc3)O2)CS1
InChIInChI=1S/C18H16N2OS/c1-3-7-13(8-4-1)16-17(14-9-5-2-6-10-14)21-18(20-16)15-11-22-12-19-15/h1-10,12,15-17H,11H2
InChIKeyVWEFJIMXXXRTRG-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.04
Rot. Bonds3

About 2-(4,5-dihydro-1,3-thiazol-4-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole

2-(4,5-dihydro-1,3-thiazol-4-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole (PubChem CID 90256216) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-4-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-4-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
PubChem CID90256216
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name2-(4,5-dihydro-1,3-thiazol-4-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
SMILESC1=NC(C2=NC(c3ccccc3)C(c3ccccc3)O2)CS1
InChIInChI=1S/C18H16N2OS/c1-3-7-13(8-4-1)16-17(14-9-5-2-6-10-14)21-18(20-16)15-11-22-12-19-15/h1-10,12,15-17H,11H2
InChIKeyVWEFJIMXXXRTRG-UHFFFAOYSA-N
XLogP4.04
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-4-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-4-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole (CID 90256216) is 2-(4,5-dihydro-1,3-thiazol-4-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-4-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-4-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole is C1=NC(C2=NC(c3ccccc3)C(c3ccccc3)O2)CS1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-4-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is VWEFJIMXXXRTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-3-7-13(8-4-1)16-17(14-9-5-2-6-10-14)21-18(20-16)15-11-22-12-19-15/h1-10,12,15-17H,11H2.
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-4-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
2-(4,5-dihydro-1,3-thiazol-4-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 308.41 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-4-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 90256216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).