1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine

C11H10F3N3O — CID 63190077

IUPAC1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(N)Cc1noc(-c2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C11H10F3N3O/c1-5(15)2-9-16-11(18-17-9)6-3-7(12)10(14)8(13)4-6/h3-5H,2,15H2,1H3
InChIKeyQGAINMNHRVZEJY-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.04
Rot. Bonds3

About 1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine

1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 63190077) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is 1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID63190077
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(N)Cc1noc(-c2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C11H10F3N3O/c1-5(15)2-9-16-11(18-17-9)6-3-7(12)10(14)8(13)4-6/h3-5H,2,15H2,1H3
InChIKeyQGAINMNHRVZEJY-UHFFFAOYSA-N
XLogP2.04
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62651230
1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62660245
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 55101679
1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 107965393
1-[5-(5-bromofuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62651224
1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63744389
1-[5-(3-chloro-4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 103211770
1-[5-(2,5-difluoro-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 107122762
3-[3-(2-aminopropyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 55101582
1-[5-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866337
1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 65100845
1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62653412

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 63190077) is 1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CC(N)Cc1noc(-c2cc(F)c(F)c(F)c2)n1.
What is the InChIKey of 1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is QGAINMNHRVZEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-5(15)2-9-16-11(18-17-9)6-3-7(12)10(14)8(13)4-6/h3-5H,2,15H2,1H3.
What are the key properties of 1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 257.22 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 63190077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).