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

C15H15FN4OS — CID 163344185

IUPAC6-fluoro-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1,2-benzoxazole
SMILESCc1nnc(N2CCC(c3noc4cc(F)ccc34)CC2)s1
InChIInChI=1S/C15H15FN4OS/c1-9-17-18-15(22-9)20-6-4-10(5-7-20)14-12-3-2-11(16)8-13(12)21-19-14/h2-3,8,10H,4-7H2,1H3
InChIKeyJEBUDDQMQQKSBT-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.51
Rot. Bonds2

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

6-fluoro-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1,2-benzoxazole (PubChem CID 163344185) has the molecular formula C15H15FN4OS and a molecular weight of 318.38 g/mol. Its IUPAC name is 6-fluoro-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1,2-benzoxazole
PubChem CID163344185
Molecular FormulaC15H15FN4OS
Molecular Weight318.38 g/mol
Exact Mass318.10
IUPAC Name6-fluoro-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1,2-benzoxazole
SMILESCc1nnc(N2CCC(c3noc4cc(F)ccc34)CC2)s1
InChIInChI=1S/C15H15FN4OS/c1-9-17-18-15(22-9)20-6-4-10(5-7-20)14-12-3-2-11(16)8-13(12)21-19-14/h2-3,8,10H,4-7H2,1H3
InChIKeyJEBUDDQMQQKSBT-UHFFFAOYSA-N
XLogP3.51
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1,2-benzoxazole?
The IUPAC name of 6-fluoro-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1,2-benzoxazole (CID 163344185) is 6-fluoro-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1,2-benzoxazole is Cc1nnc(N2CCC(c3noc4cc(F)ccc34)CC2)s1.
What is the InChIKey of 6-fluoro-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1,2-benzoxazole?
The InChIKey is JEBUDDQMQQKSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4OS/c1-9-17-18-15(22-9)20-6-4-10(5-7-20)14-12-3-2-11(16)8-13(12)21-19-14/h2-3,8,10H,4-7H2,1H3.
What are the key properties of 6-fluoro-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1,2-benzoxazole?
6-fluoro-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1,2-benzoxazole has a molecular weight of 318.38 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1,2-benzoxazole is sourced from PubChem (CID 163344185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).