5-[7-[2-(4,5-dihydro-1,3-oxazol-2-yl)thiophen-3-yl]oxyheptyl]-3-methyl-1,2-oxazole

C18H24N2O3S — CID 22166379

IUPAC5-[7-[2-(4,5-dihydro-1,3-oxazol-2-yl)thiophen-3-yl]oxyheptyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCCCOc2ccsc2C2=NCCO2)on1
InChIInChI=1S/C18H24N2O3S/c1-14-13-15(23-20-14)7-5-3-2-4-6-10-21-16-8-12-24-17(16)18-19-9-11-22-18/h8,12-13H,2-7,9-11H2,1H3
InChIKeyHBCUPIVYHPXZJL-UHFFFAOYSA-N
MW348.47 g/mol
LogP4.39
Rot. Bonds10

About 5-[7-[2-(4,5-dihydro-1,3-oxazol-2-yl)thiophen-3-yl]oxyheptyl]-3-methyl-1,2-oxazole

5-[7-[2-(4,5-dihydro-1,3-oxazol-2-yl)thiophen-3-yl]oxyheptyl]-3-methyl-1,2-oxazole (PubChem CID 22166379) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 5-[7-[2-(4,5-dihydro-1,3-oxazol-2-yl)thiophen-3-yl]oxyheptyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[7-[2-(4,5-dihydro-1,3-oxazol-2-yl)thiophen-3-yl]oxyheptyl]-3-methyl-1,2-oxazole
PubChem CID22166379
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name5-[7-[2-(4,5-dihydro-1,3-oxazol-2-yl)thiophen-3-yl]oxyheptyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCCCOc2ccsc2C2=NCCO2)on1
InChIInChI=1S/C18H24N2O3S/c1-14-13-15(23-20-14)7-5-3-2-4-6-10-21-16-8-12-24-17(16)18-19-9-11-22-18/h8,12-13H,2-7,9-11H2,1H3
InChIKeyHBCUPIVYHPXZJL-UHFFFAOYSA-N
XLogP4.39
TPSA56.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 5-[7-[2-(4,5-dihydro-1,3-oxazol-2-yl)thiophen-3-yl]oxyheptyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[7-[2-(4,5-dihydro-1,3-oxazol-2-yl)thiophen-3-yl]oxyheptyl]-3-methyl-1,2-oxazole (CID 22166379) is 5-[7-[2-(4,5-dihydro-1,3-oxazol-2-yl)thiophen-3-yl]oxyheptyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[7-[2-(4,5-dihydro-1,3-oxazol-2-yl)thiophen-3-yl]oxyheptyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[7-[2-(4,5-dihydro-1,3-oxazol-2-yl)thiophen-3-yl]oxyheptyl]-3-methyl-1,2-oxazole is Cc1cc(CCCCCCCOc2ccsc2C2=NCCO2)on1.
What is the InChIKey of 5-[7-[2-(4,5-dihydro-1,3-oxazol-2-yl)thiophen-3-yl]oxyheptyl]-3-methyl-1,2-oxazole?
The InChIKey is HBCUPIVYHPXZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-14-13-15(23-20-14)7-5-3-2-4-6-10-21-16-8-12-24-17(16)18-19-9-11-22-18/h8,12-13H,2-7,9-11H2,1H3.
What are the key properties of 5-[7-[2-(4,5-dihydro-1,3-oxazol-2-yl)thiophen-3-yl]oxyheptyl]-3-methyl-1,2-oxazole?
5-[7-[2-(4,5-dihydro-1,3-oxazol-2-yl)thiophen-3-yl]oxyheptyl]-3-methyl-1,2-oxazole has a molecular weight of 348.47 g/mol, XLogP of 4.39, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[2-(4,5-dihydro-1,3-oxazol-2-yl)thiophen-3-yl]oxyheptyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 22166379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).