2-[2-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]oxazinane

C18H22FN3O3 — CID 56718612

IUPAC2-[2-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]oxazinane
SMILESFc1ccc(C2(c3noc(CCN4CCCCO4)n3)CCOC2)cc1
InChIInChI=1S/C18H22FN3O3/c19-15-5-3-14(4-6-15)18(8-12-23-13-18)17-20-16(25-21-17)7-10-22-9-1-2-11-24-22/h3-6H,1-2,7-13H2
InChIKeyZCMQQRBLXMBTQU-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.48
Rot. Bonds5

About 2-[2-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]oxazinane

2-[2-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]oxazinane (PubChem CID 56718612) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-[2-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]oxazinane.

Molecular Properties

Compound Name2-[2-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]oxazinane
PubChem CID56718612
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name2-[2-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]oxazinane
SMILESFc1ccc(C2(c3noc(CCN4CCCCO4)n3)CCOC2)cc1
InChIInChI=1S/C18H22FN3O3/c19-15-5-3-14(4-6-15)18(8-12-23-13-18)17-20-16(25-21-17)7-10-22-9-1-2-11-24-22/h3-6H,1-2,7-13H2
InChIKeyZCMQQRBLXMBTQU-UHFFFAOYSA-N
XLogP2.48
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]oxazinane?
The IUPAC name of 2-[2-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]oxazinane (CID 56718612) is 2-[2-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]oxazinane.
What is the SMILES notation for 2-[2-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]oxazinane?
The canonical SMILES for 2-[2-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]oxazinane is Fc1ccc(C2(c3noc(CCN4CCCCO4)n3)CCOC2)cc1.
What is the InChIKey of 2-[2-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]oxazinane?
The InChIKey is ZCMQQRBLXMBTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c19-15-5-3-14(4-6-15)18(8-12-23-13-18)17-20-16(25-21-17)7-10-22-9-1-2-11-24-22/h3-6H,1-2,7-13H2.
What are the key properties of 2-[2-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]oxazinane?
2-[2-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]oxazinane has a molecular weight of 347.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]oxazinane is sourced from PubChem (CID 56718612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).