5-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-5-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole

C15H14FN3O2S — CID 100688965

IUPAC5-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-5-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole
SMILESCCO[C@H](C)c1ncc(-c2nc(-c3ccccc3F)no2)s1
InChIInChI=1S/C15H14FN3O2S/c1-3-20-9(2)15-17-8-12(22-15)14-18-13(19-21-14)10-6-4-5-7-11(10)16/h4-9H,3H2,1-2H3/t9-/m1/s1
InChIKeyGCAPCGYCKAJNQP-SECBINFHSA-N
MW319.36 g/mol
LogP4.10
Rot. Bonds5

About 5-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-5-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole

5-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-5-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 100688965) has the molecular formula C15H14FN3O2S and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-5-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-5-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole
PubChem CID100688965
Molecular FormulaC15H14FN3O2S
Molecular Weight319.36 g/mol
Exact Mass319.08
IUPAC Name5-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-5-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole
SMILESCCO[C@H](C)c1ncc(-c2nc(-c3ccccc3F)no2)s1
InChIInChI=1S/C15H14FN3O2S/c1-3-20-9(2)15-17-8-12(22-15)14-18-13(19-21-14)10-6-4-5-7-11(10)16/h4-9H,3H2,1-2H3/t9-/m1/s1
InChIKeyGCAPCGYCKAJNQP-SECBINFHSA-N
XLogP4.10
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-5-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-5-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole (CID 100688965) is 5-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-5-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-5-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-5-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole is CCO[C@H](C)c1ncc(-c2nc(-c3ccccc3F)no2)s1.
What is the InChIKey of 5-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-5-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is GCAPCGYCKAJNQP-SECBINFHSA-N. The full InChI is InChI=1S/C15H14FN3O2S/c1-3-20-9(2)15-17-8-12(22-15)14-18-13(19-21-14)10-6-4-5-7-11(10)16/h4-9H,3H2,1-2H3/t9-/m1/s1.
What are the key properties of 5-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-5-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole?
5-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-5-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 319.36 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-5-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 100688965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).