N-ethyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

C11H16F3N3O2 — CID 79953397

IUPACN-ethyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCCNC1COCC1c1nc(CCC(F)(F)F)no1
InChIInChI=1S/C11H16F3N3O2/c1-2-15-8-6-18-5-7(8)10-16-9(17-19-10)3-4-11(12,13)14/h7-8,15H,2-6H2,1H3
InChIKeyUNKYWOOHKBUVIZ-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.66
Rot. Bonds5

About N-ethyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

N-ethyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 79953397) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is N-ethyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound NameN-ethyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID79953397
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC NameN-ethyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCCNC1COCC1c1nc(CCC(F)(F)F)no1
InChIInChI=1S/C11H16F3N3O2/c1-2-15-8-6-18-5-7(8)10-16-9(17-19-10)3-4-11(12,13)14/h7-8,15H,2-6H2,1H3
InChIKeyUNKYWOOHKBUVIZ-UHFFFAOYSA-N
XLogP1.66
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of N-ethyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 79953397) is N-ethyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for N-ethyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for N-ethyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is CCNC1COCC1c1nc(CCC(F)(F)F)no1.
What is the InChIKey of N-ethyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is UNKYWOOHKBUVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-2-15-8-6-18-5-7(8)10-16-9(17-19-10)3-4-11(12,13)14/h7-8,15H,2-6H2,1H3.
What are the key properties of N-ethyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
N-ethyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 279.26 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 79953397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).