3-(4-fluorophenyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine

C15H13FN4OS — CID 108771979

IUPAC3-(4-fluorophenyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine
SMILESCc1nnc(N2CCc3noc(-c4ccc(F)cc4)c3C2)s1
InChIInChI=1S/C15H13FN4OS/c1-9-17-18-15(22-9)20-7-6-13-12(8-20)14(21-19-13)10-2-4-11(16)5-3-10/h2-5H,6-8H2,1H3
InChIKeyCJIMKVJJDHVGGQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.20
Rot. Bonds2

About 3-(4-fluorophenyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine

3-(4-fluorophenyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine (PubChem CID 108771979) has the molecular formula C15H13FN4OS and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine
PubChem CID108771979
Molecular FormulaC15H13FN4OS
Molecular Weight316.36 g/mol
Exact Mass316.08
IUPAC Name3-(4-fluorophenyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine
SMILESCc1nnc(N2CCc3noc(-c4ccc(F)cc4)c3C2)s1
InChIInChI=1S/C15H13FN4OS/c1-9-17-18-15(22-9)20-7-6-13-12(8-20)14(21-19-13)10-2-4-11(16)5-3-10/h2-5H,6-8H2,1H3
InChIKeyCJIMKVJJDHVGGQ-UHFFFAOYSA-N
XLogP3.20
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine (CID 108771979) is 3-(4-fluorophenyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine is Cc1nnc(N2CCc3noc(-c4ccc(F)cc4)c3C2)s1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine?
The InChIKey is CJIMKVJJDHVGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4OS/c1-9-17-18-15(22-9)20-7-6-13-12(8-20)14(21-19-13)10-2-4-11(16)5-3-10/h2-5H,6-8H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine?
3-(4-fluorophenyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine has a molecular weight of 316.36 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine is sourced from PubChem (CID 108771979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).