3-propan-2-yl-5-[2-[3-[2-(1,3-thiazol-2-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole

C18H23N3O2S — CID 137487930

IUPAC3-propan-2-yl-5-[2-[3-[2-(1,3-thiazol-2-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole
SMILESCC(C)c1cc(CC(C)c2cc(CC(C)c3nccs3)no2)on1
InChIInChI=1S/C18H23N3O2S/c1-11(2)16-10-15(22-21-16)8-12(3)17-9-14(20-23-17)7-13(4)18-19-5-6-24-18/h5-6,9-13H,7-8H2,1-4H3
InChIKeyRRJOMJKISSKMFK-UHFFFAOYSA-N
MW345.47 g/mol
LogP4.93
Rot. Bonds7

About 3-propan-2-yl-5-[2-[3-[2-(1,3-thiazol-2-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole

3-propan-2-yl-5-[2-[3-[2-(1,3-thiazol-2-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole (PubChem CID 137487930) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 3-propan-2-yl-5-[2-[3-[2-(1,3-thiazol-2-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole.

Molecular Properties

Compound Name3-propan-2-yl-5-[2-[3-[2-(1,3-thiazol-2-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole
PubChem CID137487930
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name3-propan-2-yl-5-[2-[3-[2-(1,3-thiazol-2-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole
SMILESCC(C)c1cc(CC(C)c2cc(CC(C)c3nccs3)no2)on1
InChIInChI=1S/C18H23N3O2S/c1-11(2)16-10-15(22-21-16)8-12(3)17-9-14(20-23-17)7-13(4)18-19-5-6-24-18/h5-6,9-13H,7-8H2,1-4H3
InChIKeyRRJOMJKISSKMFK-UHFFFAOYSA-N
XLogP4.93
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-[2-[3-[2-(1,3-thiazol-2-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole?
The IUPAC name of 3-propan-2-yl-5-[2-[3-[2-(1,3-thiazol-2-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole (CID 137487930) is 3-propan-2-yl-5-[2-[3-[2-(1,3-thiazol-2-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole.
What is the SMILES notation for 3-propan-2-yl-5-[2-[3-[2-(1,3-thiazol-2-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole?
The canonical SMILES for 3-propan-2-yl-5-[2-[3-[2-(1,3-thiazol-2-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole is CC(C)c1cc(CC(C)c2cc(CC(C)c3nccs3)no2)on1.
What is the InChIKey of 3-propan-2-yl-5-[2-[3-[2-(1,3-thiazol-2-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole?
The InChIKey is RRJOMJKISSKMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-11(2)16-10-15(22-21-16)8-12(3)17-9-14(20-23-17)7-13(4)18-19-5-6-24-18/h5-6,9-13H,7-8H2,1-4H3.
What are the key properties of 3-propan-2-yl-5-[2-[3-[2-(1,3-thiazol-2-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole?
3-propan-2-yl-5-[2-[3-[2-(1,3-thiazol-2-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole has a molecular weight of 345.47 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-[2-[3-[2-(1,3-thiazol-2-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole is sourced from PubChem (CID 137487930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).