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

C10H10F3N3O — CID 142232117

IUPAC[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine
SMILESNCc1ccc(C2=NC(C(F)(F)F)ON2)cc1
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)9-15-8(16-17-9)7-3-1-6(5-14)2-4-7/h1-4,9H,5,14H2,(H,15,16)
InChIKeyAIGMUMATYBJCTP-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.32
Rot. Bonds2

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

[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine (PubChem CID 142232117) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is [4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine
PubChem CID142232117
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine
SMILESNCc1ccc(C2=NC(C(F)(F)F)ON2)cc1
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)9-15-8(16-17-9)7-3-1-6(5-14)2-4-7/h1-4,9H,5,14H2,(H,15,16)
InChIKeyAIGMUMATYBJCTP-UHFFFAOYSA-N
XLogP1.32
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The IUPAC name of [4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine (CID 142232117) is [4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine.
What is the SMILES notation for [4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The canonical SMILES for [4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine is NCc1ccc(C2=NC(C(F)(F)F)ON2)cc1.
What is the InChIKey of [4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The InChIKey is AIGMUMATYBJCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c11-10(12,13)9-15-8(16-17-9)7-3-1-6(5-14)2-4-7/h1-4,9H,5,14H2,(H,15,16).
What are the key properties of [4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine has a molecular weight of 245.20 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine is sourced from PubChem (CID 142232117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).