2-[(2R)-oxan-2-yl]-5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazole

C10H13F3N2O4 — CID 166755407

IUPAC2-[(2R)-oxan-2-yl]-5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazole
SMILESFC(F)(F)OCCOc1nnc([C@H]2CCCCO2)o1
InChIInChI=1S/C10H13F3N2O4/c11-10(12,13)18-6-5-17-9-15-14-8(19-9)7-3-1-2-4-16-7/h7H,1-6H2/t7-/m1/s1
InChIKeyYKBUSUXPZXKYKD-SSDOTTSWSA-N
MW282.22 g/mol
LogP2.23
Rot. Bonds5

About 2-[(2R)-oxan-2-yl]-5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazole

2-[(2R)-oxan-2-yl]-5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazole (PubChem CID 166755407) has the molecular formula C10H13F3N2O4 and a molecular weight of 282.22 g/mol. Its IUPAC name is 2-[(2R)-oxan-2-yl]-5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2R)-oxan-2-yl]-5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazole
PubChem CID166755407
Molecular FormulaC10H13F3N2O4
Molecular Weight282.22 g/mol
Exact Mass282.08
IUPAC Name2-[(2R)-oxan-2-yl]-5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazole
SMILESFC(F)(F)OCCOc1nnc([C@H]2CCCCO2)o1
InChIInChI=1S/C10H13F3N2O4/c11-10(12,13)18-6-5-17-9-15-14-8(19-9)7-3-1-2-4-16-7/h7H,1-6H2/t7-/m1/s1
InChIKeyYKBUSUXPZXKYKD-SSDOTTSWSA-N
XLogP2.23
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2S)-oxan-2-yl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazole
CID 142540033
5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine
CID 62213336
2-methyl-N-[[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62213585
N-methyl-5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine
CID 166247490
N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 62214456
7-chloro-N-[(3S)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]quinoline-3-carboxamide
CID 175733211
7-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]indolizine-2-carboxamide
CID 169101498
2-(oxan-2-yl)-5-[(2-phenylphenoxy)methyl]-1,3,4-oxadiazole
CID 126817969
tert-butyl (2S,5R)-5-[(7-chloroquinoline-3-carbonyl)amino]-2-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
CID 169101505
2-[(2R)-oxan-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
CID 129490163
2-[(2S)-oxan-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
CID 129490164
2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide
CID 155234076

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-oxan-2-yl]-5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazole?
The IUPAC name of 2-[(2R)-oxan-2-yl]-5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazole (CID 166755407) is 2-[(2R)-oxan-2-yl]-5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2R)-oxan-2-yl]-5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2R)-oxan-2-yl]-5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazole is FC(F)(F)OCCOc1nnc([C@H]2CCCCO2)o1.
What is the InChIKey of 2-[(2R)-oxan-2-yl]-5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazole?
The InChIKey is YKBUSUXPZXKYKD-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13F3N2O4/c11-10(12,13)18-6-5-17-9-15-14-8(19-9)7-3-1-2-4-16-7/h7H,1-6H2/t7-/m1/s1.
What are the key properties of 2-[(2R)-oxan-2-yl]-5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazole?
2-[(2R)-oxan-2-yl]-5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazole has a molecular weight of 282.22 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-oxan-2-yl]-5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazole is sourced from PubChem (CID 166755407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).