N-ethyl-1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine

C10H16F3N3O2 — CID 63350464

IUPACN-ethyl-1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCCNC(COC)Cc1nc(CC(F)(F)F)no1
InChIInChI=1S/C10H16F3N3O2/c1-3-14-7(6-17-2)4-9-15-8(16-18-9)5-10(11,12)13/h7,14H,3-6H2,1-2H3
InChIKeyMFCHMTVQLSOXFQ-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.34
Rot. Bonds7

About N-ethyl-1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine

N-ethyl-1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 63350464) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is N-ethyl-1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID63350464
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC NameN-ethyl-1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCCNC(COC)Cc1nc(CC(F)(F)F)no1
InChIInChI=1S/C10H16F3N3O2/c1-3-14-7(6-17-2)4-9-15-8(16-18-9)5-10(11,12)13/h7,14H,3-6H2,1-2H3
InChIKeyMFCHMTVQLSOXFQ-UHFFFAOYSA-N
XLogP1.34
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of N-ethyl-1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 63350464) is N-ethyl-1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for N-ethyl-1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for N-ethyl-1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CCNC(COC)Cc1nc(CC(F)(F)F)no1.
What is the InChIKey of N-ethyl-1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is MFCHMTVQLSOXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c1-3-14-7(6-17-2)4-9-15-8(16-18-9)5-10(11,12)13/h7,14H,3-6H2,1-2H3.
What are the key properties of N-ethyl-1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
N-ethyl-1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 267.25 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 63350464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).