5-(4-fluorophenyl)-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3-oxazole

C16H16FN3OS — CID 78892959

IUPAC5-(4-fluorophenyl)-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3-oxazole
SMILESCn1cc(CCCSc2ncc(-c3ccc(F)cc3)o2)cn1
InChIInChI=1S/C16H16FN3OS/c1-20-11-12(9-19-20)3-2-8-22-16-18-10-15(21-16)13-4-6-14(17)7-5-13/h4-7,9-11H,2-3,8H2,1H3
InChIKeyFSICHELSINMVAK-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.94
Rot. Bonds6

About 5-(4-fluorophenyl)-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3-oxazole

5-(4-fluorophenyl)-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3-oxazole (PubChem CID 78892959) has the molecular formula C16H16FN3OS and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3-oxazole
PubChem CID78892959
Molecular FormulaC16H16FN3OS
Molecular Weight317.39 g/mol
Exact Mass317.10
IUPAC Name5-(4-fluorophenyl)-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3-oxazole
SMILESCn1cc(CCCSc2ncc(-c3ccc(F)cc3)o2)cn1
InChIInChI=1S/C16H16FN3OS/c1-20-11-12(9-19-20)3-2-8-22-16-18-10-15(21-16)13-4-6-14(17)7-5-13/h4-7,9-11H,2-3,8H2,1H3
InChIKeyFSICHELSINMVAK-UHFFFAOYSA-N
XLogP3.94
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.94
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 5-(4-fluorophenyl)-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3-oxazole (CID 78892959) is 5-(4-fluorophenyl)-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3-oxazole is Cn1cc(CCCSc2ncc(-c3ccc(F)cc3)o2)cn1.
What is the InChIKey of 5-(4-fluorophenyl)-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3-oxazole?
The InChIKey is FSICHELSINMVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3OS/c1-20-11-12(9-19-20)3-2-8-22-16-18-10-15(21-16)13-4-6-14(17)7-5-13/h4-7,9-11H,2-3,8H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3-oxazole?
5-(4-fluorophenyl)-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3-oxazole has a molecular weight of 317.39 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3-oxazole is sourced from PubChem (CID 78892959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).