6-fluoro-3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1,2-benzoxazole

C17H19FN4O2S — CID 163344342

IUPAC6-fluoro-3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1,2-benzoxazole
SMILESCOCCc1nsc(N2CCC(c3noc4cc(F)ccc34)CC2)n1
InChIInChI=1S/C17H19FN4O2S/c1-23-9-6-15-19-17(25-21-15)22-7-4-11(5-8-22)16-13-3-2-12(18)10-14(13)24-20-16/h2-3,10-11H,4-9H2,1H3
InChIKeyGLSWKCDXVBHUIK-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.39
Rot. Bonds5

About 6-fluoro-3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1,2-benzoxazole

6-fluoro-3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1,2-benzoxazole (PubChem CID 163344342) has the molecular formula C17H19FN4O2S and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-fluoro-3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1,2-benzoxazole
PubChem CID163344342
Molecular FormulaC17H19FN4O2S
Molecular Weight362.43 g/mol
Exact Mass362.12
IUPAC Name6-fluoro-3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1,2-benzoxazole
SMILESCOCCc1nsc(N2CCC(c3noc4cc(F)ccc34)CC2)n1
InChIInChI=1S/C17H19FN4O2S/c1-23-9-6-15-19-17(25-21-15)22-7-4-11(5-8-22)16-13-3-2-12(18)10-14(13)24-20-16/h2-3,10-11H,4-9H2,1H3
InChIKeyGLSWKCDXVBHUIK-UHFFFAOYSA-N
XLogP3.39
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1,2-benzoxazole?
The IUPAC name of 6-fluoro-3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1,2-benzoxazole (CID 163344342) is 6-fluoro-3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1,2-benzoxazole is COCCc1nsc(N2CCC(c3noc4cc(F)ccc34)CC2)n1.
What is the InChIKey of 6-fluoro-3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1,2-benzoxazole?
The InChIKey is GLSWKCDXVBHUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2S/c1-23-9-6-15-19-17(25-21-15)22-7-4-11(5-8-22)16-13-3-2-12(18)10-14(13)24-20-16/h2-3,10-11H,4-9H2,1H3.
What are the key properties of 6-fluoro-3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1,2-benzoxazole?
6-fluoro-3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1,2-benzoxazole has a molecular weight of 362.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1,2-benzoxazole is sourced from PubChem (CID 163344342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).