3-[4-(3-fluorophenyl)oxan-4-yl]-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-oxadiazole

C16H17FN6O2 — CID 167821858

IUPAC3-[4-(3-fluorophenyl)oxan-4-yl]-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-oxadiazole
SMILESFc1cccc(C2(c3noc(CCn4cnnn4)n3)CCOCC2)c1
InChIInChI=1S/C16H17FN6O2/c17-13-3-1-2-12(10-13)16(5-8-24-9-6-16)15-19-14(25-20-15)4-7-23-11-18-21-22-23/h1-3,10-11H,4-9H2
InChIKeyFOLOTVKLGFZWDP-UHFFFAOYSA-N
MW344.35 g/mol
LogP1.53
Rot. Bonds5

About 3-[4-(3-fluorophenyl)oxan-4-yl]-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-oxadiazole

3-[4-(3-fluorophenyl)oxan-4-yl]-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 167821858) has the molecular formula C16H17FN6O2 and a molecular weight of 344.35 g/mol. Its IUPAC name is 3-[4-(3-fluorophenyl)oxan-4-yl]-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(3-fluorophenyl)oxan-4-yl]-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-oxadiazole
PubChem CID167821858
Molecular FormulaC16H17FN6O2
Molecular Weight344.35 g/mol
Exact Mass344.14
IUPAC Name3-[4-(3-fluorophenyl)oxan-4-yl]-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-oxadiazole
SMILESFc1cccc(C2(c3noc(CCn4cnnn4)n3)CCOCC2)c1
InChIInChI=1S/C16H17FN6O2/c17-13-3-1-2-12(10-13)16(5-8-24-9-6-16)15-19-14(25-20-15)4-7-23-11-18-21-22-23/h1-3,10-11H,4-9H2
InChIKeyFOLOTVKLGFZWDP-UHFFFAOYSA-N
XLogP1.53
TPSA91.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-(2,4-difluorophenyl)ethyl]tetrazole
CID 166395215
(2S)-2-amino-2-[3-(4-phenyloxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915705
1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63349444
2-cyclopropyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole
CID 56784944
3-[3-[1-(4-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 166239044
5-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-3-[1-(3-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole
CID 154797294
N-[[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 45190975
1-[3-[4-[3-fluoro-4-[[(6R)-1-oxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 145227083
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-methylguanidine;hydroiodide
CID 111699150
1-[5-[4-(3-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852778
2-(2-fluorophenyl)-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole
CID 56784934
1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861786

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluorophenyl)oxan-4-yl]-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(3-fluorophenyl)oxan-4-yl]-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-oxadiazole (CID 167821858) is 3-[4-(3-fluorophenyl)oxan-4-yl]-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(3-fluorophenyl)oxan-4-yl]-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(3-fluorophenyl)oxan-4-yl]-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-oxadiazole is Fc1cccc(C2(c3noc(CCn4cnnn4)n3)CCOCC2)c1.
What is the InChIKey of 3-[4-(3-fluorophenyl)oxan-4-yl]-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is FOLOTVKLGFZWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6O2/c17-13-3-1-2-12(10-13)16(5-8-24-9-6-16)15-19-14(25-20-15)4-7-23-11-18-21-22-23/h1-3,10-11H,4-9H2.
What are the key properties of 3-[4-(3-fluorophenyl)oxan-4-yl]-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-oxadiazole?
3-[4-(3-fluorophenyl)oxan-4-yl]-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 344.35 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluorophenyl)oxan-4-yl]-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 167821858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).