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

C10H10F3N5O — CID 66142266

IUPAC(3-cyclopropylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNC(c1noc(C(F)(F)F)n1)c1cncn1C1CC1
InChIInChI=1S/C10H10F3N5O/c11-10(12,13)9-16-8(17-19-9)7(14)6-3-15-4-18(6)5-1-2-5/h3-5,7H,1-2,14H2
InChIKeyRKTXFMQGGSHCRZ-UHFFFAOYSA-N
MW273.22 g/mol
LogP1.67
Rot. Bonds3

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

(3-cyclopropylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 66142266) has the molecular formula C10H10F3N5O and a molecular weight of 273.22 g/mol. Its IUPAC name is (3-cyclopropylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name(3-cyclopropylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID66142266
Molecular FormulaC10H10F3N5O
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC Name(3-cyclopropylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNC(c1noc(C(F)(F)F)n1)c1cncn1C1CC1
InChIInChI=1S/C10H10F3N5O/c11-10(12,13)9-16-8(17-19-9)7(14)6-3-15-4-18(6)5-1-2-5/h3-5,7H,1-2,14H2
InChIKeyRKTXFMQGGSHCRZ-UHFFFAOYSA-N
XLogP1.67
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of (3-cyclopropylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine (CID 66142266) is (3-cyclopropylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for (3-cyclopropylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for (3-cyclopropylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine is NC(c1noc(C(F)(F)F)n1)c1cncn1C1CC1.
What is the InChIKey of (3-cyclopropylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is RKTXFMQGGSHCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O/c11-10(12,13)9-16-8(17-19-9)7(14)6-3-15-4-18(6)5-1-2-5/h3-5,7H,1-2,14H2.
What are the key properties of (3-cyclopropylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
(3-cyclopropylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 273.22 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 66142266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).