[(2R,5S)-5-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine

C14H16FN3O3 — CID 120893599

IUPAC[(2R,5S)-5-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
SMILESNC[C@H]1CC[C@@H](c2nc(COc3ccccc3F)no2)O1
InChIInChI=1S/C14H16FN3O3/c15-10-3-1-2-4-11(10)19-8-13-17-14(21-18-13)12-6-5-9(7-16)20-12/h1-4,9,12H,5-8,16H2/t9-,12+/m1/s1
InChIKeyOUCMKTATBJPVGO-SKDRFNHKSA-N
MW293.30 g/mol
LogP1.97
Rot. Bonds5

About [(2R,5S)-5-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine

[(2R,5S)-5-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine (PubChem CID 120893599) has the molecular formula C14H16FN3O3 and a molecular weight of 293.30 g/mol. Its IUPAC name is [(2R,5S)-5-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[(2R,5S)-5-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
PubChem CID120893599
Molecular FormulaC14H16FN3O3
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC Name[(2R,5S)-5-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
SMILESNC[C@H]1CC[C@@H](c2nc(COc3ccccc3F)no2)O1
InChIInChI=1S/C14H16FN3O3/c15-10-3-1-2-4-11(10)19-8-13-17-14(21-18-13)12-6-5-9(7-16)20-12/h1-4,9,12H,5-8,16H2/t9-,12+/m1/s1
InChIKeyOUCMKTATBJPVGO-SKDRFNHKSA-N
XLogP1.97
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R,5S)-5-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine with MolForge

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Related Compounds

[(2R,5R)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
CID 129372919
(1S,2S,4R)-2-(aminomethyl)-4-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 154768252
3-[(2-fluorophenoxy)methyl]-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120893547
5-(5-azaspiro[2.4]heptan-2-yl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride
CID 120893573
5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride
CID 120893605
5-[(2R,5S)-5-methyloxolan-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 129381348
[5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
CID 116743678
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-6-fluorobenzamide
CID 86790986
[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorophenyl]methanamine
CID 112608114
[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
CID 119031140
1-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 120893585
[1-[[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine;hydrochloride
CID 120893497

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-5-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine?
The IUPAC name of [(2R,5S)-5-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine (CID 120893599) is [(2R,5S)-5-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine.
What is the SMILES notation for [(2R,5S)-5-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine?
The canonical SMILES for [(2R,5S)-5-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine is NC[C@H]1CC[C@@H](c2nc(COc3ccccc3F)no2)O1.
What is the InChIKey of [(2R,5S)-5-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine?
The InChIKey is OUCMKTATBJPVGO-SKDRFNHKSA-N. The full InChI is InChI=1S/C14H16FN3O3/c15-10-3-1-2-4-11(10)19-8-13-17-14(21-18-13)12-6-5-9(7-16)20-12/h1-4,9,12H,5-8,16H2/t9-,12+/m1/s1.
What are the key properties of [(2R,5S)-5-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine?
[(2R,5S)-5-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine has a molecular weight of 293.30 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-5-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine is sourced from PubChem (CID 120893599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).