(3-ethylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine

C9H10F3N5O — CID 66134944

IUPAC(3-ethylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCCn1cncc1C(N)c1noc(C(F)(F)F)n1
InChIInChI=1S/C9H10F3N5O/c1-2-17-4-14-3-5(17)6(13)7-15-8(18-16-7)9(10,11)12/h3-4,6H,2,13H2,1H3
InChIKeyNFZNFGQHFPYQAZ-UHFFFAOYSA-N
MW261.21 g/mol
LogP1.35
Rot. Bonds3

About (3-ethylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine

(3-ethylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 66134944) has the molecular formula C9H10F3N5O and a molecular weight of 261.21 g/mol. Its IUPAC name is (3-ethylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name(3-ethylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID66134944
Molecular FormulaC9H10F3N5O
Molecular Weight261.21 g/mol
Exact Mass261.08
IUPAC Name(3-ethylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCCn1cncc1C(N)c1noc(C(F)(F)F)n1
InChIInChI=1S/C9H10F3N5O/c1-2-17-4-14-3-5(17)6(13)7-15-8(18-16-7)9(10,11)12/h3-4,6H,2,13H2,1H3
InChIKeyNFZNFGQHFPYQAZ-UHFFFAOYSA-N
XLogP1.35
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-ethylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of (3-ethylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine (CID 66134944) is (3-ethylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for (3-ethylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for (3-ethylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine is CCn1cncc1C(N)c1noc(C(F)(F)F)n1.
What is the InChIKey of (3-ethylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is NFZNFGQHFPYQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5O/c1-2-17-4-14-3-5(17)6(13)7-15-8(18-16-7)9(10,11)12/h3-4,6H,2,13H2,1H3.
What are the key properties of (3-ethylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
(3-ethylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 261.21 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 66134944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).