3-(4,5-dihydro-1,3-oxazol-2-yl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxadiazolidine

C19H16N10O4S2 — CID 141061379

IUPAC3-(4,5-dihydro-1,3-oxazol-2-yl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxadiazolidine
SMILESc1coc(C2(c3cn[nH]n3)N(C3=NCCO3)N(c3nccs3)OC2(C2=NCCS2)c2ccon2)n1
InChIInChI=1S/C19H16N10O4S2/c1-6-32-26-12(1)19(15-21-4-9-34-15)18(13-11-24-27-25-13,14-20-2-7-30-14)28(16-22-3-8-31-16)29(33-19)17-23-5-10-35-17/h1-2,5-7,10-11H,3-4,8-9H2,(H,24,25,27)
InChIKeyRAOCXNLNWMCUJG-UHFFFAOYSA-N
MW512.54 g/mol
LogP1.58
Rot. Bonds5

About 3-(4,5-dihydro-1,3-oxazol-2-yl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxadiazolidine

3-(4,5-dihydro-1,3-oxazol-2-yl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxadiazolidine (PubChem CID 141061379) has the molecular formula C19H16N10O4S2 and a molecular weight of 512.54 g/mol. Its IUPAC name is 3-(4,5-dihydro-1,3-oxazol-2-yl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxadiazolidine.

Molecular Properties

Compound Name3-(4,5-dihydro-1,3-oxazol-2-yl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxadiazolidine
PubChem CID141061379
Molecular FormulaC19H16N10O4S2
Molecular Weight512.54 g/mol
Exact Mass512.08
IUPAC Name3-(4,5-dihydro-1,3-oxazol-2-yl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxadiazolidine
SMILESc1coc(C2(c3cn[nH]n3)N(C3=NCCO3)N(c3nccs3)OC2(C2=NCCS2)c2ccon2)n1
InChIInChI=1S/C19H16N10O4S2/c1-6-32-26-12(1)19(15-21-4-9-34-15)18(13-11-24-27-25-13,14-20-2-7-30-14)28(16-22-3-8-31-16)29(33-19)17-23-5-10-35-17/h1-2,5-7,10-11H,3-4,8-9H2,(H,24,25,27)
InChIKeyRAOCXNLNWMCUJG-UHFFFAOYSA-N
XLogP1.58
TPSA156.18 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.54
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 3-(4,5-dihydro-1,3-oxazol-2-yl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxadiazolidine with MolForge

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Related Compounds

2-[2-(1,2-oxazol-3-yl)-3-(2H-tetrazol-5-yl)-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)piperidin-3-yl]-1,3-oxazole
CID 140977166

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1,3-oxazol-2-yl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxadiazolidine?
The IUPAC name of 3-(4,5-dihydro-1,3-oxazol-2-yl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxadiazolidine (CID 141061379) is 3-(4,5-dihydro-1,3-oxazol-2-yl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxadiazolidine.
What is the SMILES notation for 3-(4,5-dihydro-1,3-oxazol-2-yl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxadiazolidine?
The canonical SMILES for 3-(4,5-dihydro-1,3-oxazol-2-yl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxadiazolidine is c1coc(C2(c3cn[nH]n3)N(C3=NCCO3)N(c3nccs3)OC2(C2=NCCS2)c2ccon2)n1.
What is the InChIKey of 3-(4,5-dihydro-1,3-oxazol-2-yl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxadiazolidine?
The InChIKey is RAOCXNLNWMCUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N10O4S2/c1-6-32-26-12(1)19(15-21-4-9-34-15)18(13-11-24-27-25-13,14-20-2-7-30-14)28(16-22-3-8-31-16)29(33-19)17-23-5-10-35-17/h1-2,5-7,10-11H,3-4,8-9H2,(H,24,25,27).
What are the key properties of 3-(4,5-dihydro-1,3-oxazol-2-yl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxadiazolidine?
3-(4,5-dihydro-1,3-oxazol-2-yl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxadiazolidine has a molecular weight of 512.54 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1,3-oxazol-2-yl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxadiazolidine is sourced from PubChem (CID 141061379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).