4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-3,5-dimethyl-1,2-oxazole

C16H13FN2OS — CID 9118237

IUPAC4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1/C=C/c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C16H13FN2OS/c1-10-14(11(2)20-19-10)7-8-16-18-15(9-21-16)12-3-5-13(17)6-4-12/h3-9H,1-2H3/b8-7+
InChIKeyAQNCFQJZPAIVCP-BQYQJAHWSA-N
MW300.36 g/mol
LogP4.72
Rot. Bonds3

About 4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-3,5-dimethyl-1,2-oxazole

4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 9118237) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-3,5-dimethyl-1,2-oxazole
PubChem CID9118237
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC Name4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1/C=C/c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C16H13FN2OS/c1-10-14(11(2)20-19-10)7-8-16-18-15(9-21-16)12-3-5-13(17)6-4-12/h3-9H,1-2H3/b8-7+
InChIKeyAQNCFQJZPAIVCP-BQYQJAHWSA-N
XLogP4.72
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-3,5-dimethyl-1,2-oxazole (CID 9118237) is 4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1/C=C/c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is AQNCFQJZPAIVCP-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H13FN2OS/c1-10-14(11(2)20-19-10)7-8-16-18-15(9-21-16)12-3-5-13(17)6-4-12/h3-9H,1-2H3/b8-7+.
What are the key properties of 4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-3,5-dimethyl-1,2-oxazole?
4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 300.36 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 9118237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).