4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine

C14H16FN3O2 — CID 66248171

IUPAC4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine
SMILESCc1ccc(F)cc1-c1noc(C2(C)COCC2N)n1
InChIInChI=1S/C14H16FN3O2/c1-8-3-4-9(15)5-10(8)12-17-13(20-18-12)14(2)7-19-6-11(14)16/h3-5,11H,6-7,16H2,1-2H3
InChIKeyFYTQEPZLRYYQMC-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.80
Rot. Bonds2

About 4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine

4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine (PubChem CID 66248171) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine.

Molecular Properties

Compound Name4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine
PubChem CID66248171
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine
SMILESCc1ccc(F)cc1-c1noc(C2(C)COCC2N)n1
InChIInChI=1S/C14H16FN3O2/c1-8-3-4-9(15)5-10(8)12-17-13(20-18-12)14(2)7-19-6-11(14)16/h3-5,11H,6-7,16H2,1-2H3
InChIKeyFYTQEPZLRYYQMC-UHFFFAOYSA-N
XLogP1.80
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3-Fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine
CID 55076236
3-[3-(3-Fluorophenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 64889208
4-[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl]oxane-4-carboxamide
CID 156856560
(1S,2S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine
CID 162767996
(1S,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine
CID 162768011
(1R,2S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine
CID 162768042
(1R,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine
CID 162768051
[(2R)-2-amino-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl] 2,2,2-trifluoroacetate
CID 163593756
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide
CID 34835053
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 34835061
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-methoxypropan-2-yl)propanamide
CID 51219162
1-Amino-1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 55067760

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine?
The IUPAC name of 4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine (CID 66248171) is 4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine.
What is the SMILES notation for 4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine?
The canonical SMILES for 4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine is Cc1ccc(F)cc1-c1noc(C2(C)COCC2N)n1.
What is the InChIKey of 4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine?
The InChIKey is FYTQEPZLRYYQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-8-3-4-9(15)5-10(8)12-17-13(20-18-12)14(2)7-19-6-11(14)16/h3-5,11H,6-7,16H2,1-2H3.
What are the key properties of 4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine?
4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine has a molecular weight of 277.30 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine is sourced from PubChem (CID 66248171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).