3-[2-[5-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]-1,2,4-oxadiazol-3-yl]ethyl]-1,2-benzoxazole

C19H19N3O2 — CID 139019220

IUPAC3-[2-[5-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]-1,2,4-oxadiazol-3-yl]ethyl]-1,2-benzoxazole
SMILESc1ccc2c(CCc3noc(C4[C@@H]5[C@H]6CC[C@H](C6)[C@H]45)n3)noc2c1
InChIInChI=1S/C19H19N3O2/c1-2-4-14-12(3-1)13(21-23-14)7-8-15-20-19(24-22-15)18-16-10-5-6-11(9-10)17(16)18/h1-4,10-11,16-18H,5-9H2/t10-,11+,16+,17-,18?
InChIKeyWISUESHEUNSKBI-RJDHFHAVSA-N
MW321.38 g/mol
LogP3.76
Rot. Bonds4

About 3-[2-[5-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]-1,2,4-oxadiazol-3-yl]ethyl]-1,2-benzoxazole

3-[2-[5-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]-1,2,4-oxadiazol-3-yl]ethyl]-1,2-benzoxazole (PubChem CID 139019220) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-[2-[5-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]-1,2,4-oxadiazol-3-yl]ethyl]-1,2-benzoxazole.

Molecular Properties

Compound Name3-[2-[5-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]-1,2,4-oxadiazol-3-yl]ethyl]-1,2-benzoxazole
PubChem CID139019220
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-[2-[5-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]-1,2,4-oxadiazol-3-yl]ethyl]-1,2-benzoxazole
SMILESc1ccc2c(CCc3noc(C4[C@@H]5[C@H]6CC[C@H](C6)[C@H]45)n3)noc2c1
InChIInChI=1S/C19H19N3O2/c1-2-4-14-12(3-1)13(21-23-14)7-8-15-20-19(24-22-15)18-16-10-5-6-11(9-10)17(16)18/h1-4,10-11,16-18H,5-9H2/t10-,11+,16+,17-,18?
InChIKeyWISUESHEUNSKBI-RJDHFHAVSA-N
XLogP3.76
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-[5-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]-1,2,4-oxadiazol-3-yl]ethyl]-1,2-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]-1,2,4-oxadiazol-3-yl]ethyl]-1,2-benzoxazole?
The IUPAC name of 3-[2-[5-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]-1,2,4-oxadiazol-3-yl]ethyl]-1,2-benzoxazole (CID 139019220) is 3-[2-[5-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]-1,2,4-oxadiazol-3-yl]ethyl]-1,2-benzoxazole.
What is the SMILES notation for 3-[2-[5-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]-1,2,4-oxadiazol-3-yl]ethyl]-1,2-benzoxazole?
The canonical SMILES for 3-[2-[5-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]-1,2,4-oxadiazol-3-yl]ethyl]-1,2-benzoxazole is c1ccc2c(CCc3noc(C4[C@@H]5[C@H]6CC[C@H](C6)[C@H]45)n3)noc2c1.
What is the InChIKey of 3-[2-[5-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]-1,2,4-oxadiazol-3-yl]ethyl]-1,2-benzoxazole?
The InChIKey is WISUESHEUNSKBI-RJDHFHAVSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-4-14-12(3-1)13(21-23-14)7-8-15-20-19(24-22-15)18-16-10-5-6-11(9-10)17(16)18/h1-4,10-11,16-18H,5-9H2/t10-,11+,16+,17-,18?.
What are the key properties of 3-[2-[5-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]-1,2,4-oxadiazol-3-yl]ethyl]-1,2-benzoxazole?
3-[2-[5-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]-1,2,4-oxadiazol-3-yl]ethyl]-1,2-benzoxazole has a molecular weight of 321.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]-1,2,4-oxadiazol-3-yl]ethyl]-1,2-benzoxazole is sourced from PubChem (CID 139019220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).