3-methyl-5-[5-[4-(1,3-thiazol-2-yl)phenoxy]pentyl]-1,2-oxazole

C18H20N2O2S — CID 6483424

IUPAC3-methyl-5-[5-[4-(1,3-thiazol-2-yl)phenoxy]pentyl]-1,2-oxazole
SMILESCc1cc(CCCCCOc2ccc(-c3nccs3)cc2)on1
InChIInChI=1S/C18H20N2O2S/c1-14-13-17(22-20-14)5-3-2-4-11-21-16-8-6-15(7-9-16)18-19-10-12-23-18/h6-10,12-13H,2-5,11H2,1H3
InChIKeyHCLJASLESSIOLN-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.90
Rot. Bonds8

About 3-methyl-5-[5-[4-(1,3-thiazol-2-yl)phenoxy]pentyl]-1,2-oxazole

3-methyl-5-[5-[4-(1,3-thiazol-2-yl)phenoxy]pentyl]-1,2-oxazole (PubChem CID 6483424) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 3-methyl-5-[5-[4-(1,3-thiazol-2-yl)phenoxy]pentyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[5-[4-(1,3-thiazol-2-yl)phenoxy]pentyl]-1,2-oxazole
PubChem CID6483424
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name3-methyl-5-[5-[4-(1,3-thiazol-2-yl)phenoxy]pentyl]-1,2-oxazole
SMILESCc1cc(CCCCCOc2ccc(-c3nccs3)cc2)on1
InChIInChI=1S/C18H20N2O2S/c1-14-13-17(22-20-14)5-3-2-4-11-21-16-8-6-15(7-9-16)18-19-10-12-23-18/h6-10,12-13H,2-5,11H2,1H3
InChIKeyHCLJASLESSIOLN-UHFFFAOYSA-N
XLogP4.90
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[5-[4-(1,3-thiazol-2-yl)phenoxy]pentyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[5-[4-(1,3-thiazol-2-yl)phenoxy]pentyl]-1,2-oxazole (CID 6483424) is 3-methyl-5-[5-[4-(1,3-thiazol-2-yl)phenoxy]pentyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[5-[4-(1,3-thiazol-2-yl)phenoxy]pentyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[5-[4-(1,3-thiazol-2-yl)phenoxy]pentyl]-1,2-oxazole is Cc1cc(CCCCCOc2ccc(-c3nccs3)cc2)on1.
What is the InChIKey of 3-methyl-5-[5-[4-(1,3-thiazol-2-yl)phenoxy]pentyl]-1,2-oxazole?
The InChIKey is HCLJASLESSIOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-14-13-17(22-20-14)5-3-2-4-11-21-16-8-6-15(7-9-16)18-19-10-12-23-18/h6-10,12-13H,2-5,11H2,1H3.
What are the key properties of 3-methyl-5-[5-[4-(1,3-thiazol-2-yl)phenoxy]pentyl]-1,2-oxazole?
3-methyl-5-[5-[4-(1,3-thiazol-2-yl)phenoxy]pentyl]-1,2-oxazole has a molecular weight of 328.44 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[5-[4-(1,3-thiazol-2-yl)phenoxy]pentyl]-1,2-oxazole is sourced from PubChem (CID 6483424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).