5-(oxolan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine

C14H14F3N3O2 — CID 86782605

IUPAC5-(oxolan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)c1cccc(CNc2nnc(C3CCCO3)o2)c1
InChIInChI=1S/C14H14F3N3O2/c15-14(16,17)10-4-1-3-9(7-10)8-18-13-20-19-12(22-13)11-5-2-6-21-11/h1,3-4,7,11H,2,5-6,8H2,(H,18,20)
InChIKeySHPPXAYTAWEEHU-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.55
Rot. Bonds4

About 5-(oxolan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine

5-(oxolan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 86782605) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 5-(oxolan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(oxolan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
PubChem CID86782605
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC Name5-(oxolan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)c1cccc(CNc2nnc(C3CCCO3)o2)c1
InChIInChI=1S/C14H14F3N3O2/c15-14(16,17)10-4-1-3-9(7-10)8-18-13-20-19-12(22-13)11-5-2-6-21-11/h1,3-4,7,11H,2,5-6,8H2,(H,18,20)
InChIKeySHPPXAYTAWEEHU-UHFFFAOYSA-N
XLogP3.55
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(oxolan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine (CID 86782605) is 5-(oxolan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(oxolan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(oxolan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine is FC(F)(F)c1cccc(CNc2nnc(C3CCCO3)o2)c1.
What is the InChIKey of 5-(oxolan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is SHPPXAYTAWEEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c15-14(16,17)10-4-1-3-9(7-10)8-18-13-20-19-12(22-13)11-5-2-6-21-11/h1,3-4,7,11H,2,5-6,8H2,(H,18,20).
What are the key properties of 5-(oxolan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine?
5-(oxolan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 313.28 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 86782605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).