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

C19H21FN4O2 — CID 56746103

IUPAC5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCC(C)(C)c1nc(CN2CCc3onc(-c4cccc(F)c4)c3C2)no1
InChIInChI=1S/C19H21FN4O2/c1-19(2,3)18-21-16(22-26-18)11-24-8-7-15-14(10-24)17(23-25-15)12-5-4-6-13(20)9-12/h4-6,9H,7-8,10-11H2,1-3H3
InChIKeyAGGWUHLHUWIHRC-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.72
Rot. Bonds3

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

5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 56746103) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID56746103
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCC(C)(C)c1nc(CN2CCc3onc(-c4cccc(F)c4)c3C2)no1
InChIInChI=1S/C19H21FN4O2/c1-19(2,3)18-21-16(22-26-18)11-24-8-7-15-14(10-24)17(23-25-15)12-5-4-6-13(20)9-12/h4-6,9H,7-8,10-11H2,1-3H3
InChIKeyAGGWUHLHUWIHRC-UHFFFAOYSA-N
XLogP3.72
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 56746103) is 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is CC(C)(C)c1nc(CN2CCc3onc(-c4cccc(F)c4)c3C2)no1.
What is the InChIKey of 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is AGGWUHLHUWIHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-19(2,3)18-21-16(22-26-18)11-24-8-7-15-14(10-24)17(23-25-15)12-5-4-6-13(20)9-12/h4-6,9H,7-8,10-11H2,1-3H3.
What are the key properties of 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 356.40 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 56746103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).