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

C9H14F3N3O — CID 82007868

IUPAC2-methyl-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1nc(C(F)(F)F)no1
InChIInChI=1S/C9H14F3N3O/c1-8(2,3)13-5-4-6-14-7(15-16-6)9(10,11)12/h13H,4-5H2,1-3H3
InChIKeyYNUXRGYMSKJHIT-UHFFFAOYSA-N
MW237.22 g/mol
LogP2.02
Rot. Bonds3

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

2-methyl-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine (PubChem CID 82007868) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-methyl-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
PubChem CID82007868
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name2-methyl-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1nc(C(F)(F)F)no1
InChIInChI=1S/C9H14F3N3O/c1-8(2,3)13-5-4-6-14-7(15-16-6)9(10,11)12/h13H,4-5H2,1-3H3
InChIKeyYNUXRGYMSKJHIT-UHFFFAOYSA-N
XLogP2.02
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine (CID 82007868) is 2-methyl-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine is CC(C)(C)NCCc1nc(C(F)(F)F)no1.
What is the InChIKey of 2-methyl-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
The InChIKey is YNUXRGYMSKJHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-8(2,3)13-5-4-6-14-7(15-16-6)9(10,11)12/h13H,4-5H2,1-3H3.
What are the key properties of 2-methyl-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
2-methyl-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine has a molecular weight of 237.22 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine is sourced from PubChem (CID 82007868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).