2,3,4-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline

C10H8F3N3O — CID 103742013

IUPAC2,3,4-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
SMILESCc1nc(CNc2ccc(F)c(F)c2F)no1
InChIInChI=1S/C10H8F3N3O/c1-5-15-8(16-17-5)4-14-7-3-2-6(11)9(12)10(7)13/h2-3,14H,4H2,1H3
InChIKeyOUEZCAAFPMZTFR-UHFFFAOYSA-N
MW243.19 g/mol
LogP2.41
Rot. Bonds3

About 2,3,4-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline

2,3,4-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline (PubChem CID 103742013) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
PubChem CID103742013
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name2,3,4-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
SMILESCc1nc(CNc2ccc(F)c(F)c2F)no1
InChIInChI=1S/C10H8F3N3O/c1-5-15-8(16-17-5)4-14-7-3-2-6(11)9(12)10(7)13/h2-3,14H,4H2,1H3
InChIKeyOUEZCAAFPMZTFR-UHFFFAOYSA-N
XLogP2.41
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 52.41
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

2,3,5,6-tetrafluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 107912090
2,4-dibromo-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103746510
2,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103741958
2-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 113252882
2-fluoro-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzonitrile
CID 113253697
2-bromo-6-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103746575
4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103746517
2-fluoro-5-methoxy-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,4-diamine
CID 106393186
2-chloro-5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103768023
7-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine
CID 103703190
2-(difluoromethoxy)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103741993
ethyl 2-amino-4-fluoro-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzoate
CID 106407262

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline?
The IUPAC name of 2,3,4-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline (CID 103742013) is 2,3,4-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline.
What is the SMILES notation for 2,3,4-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline?
The canonical SMILES for 2,3,4-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline is Cc1nc(CNc2ccc(F)c(F)c2F)no1.
What is the InChIKey of 2,3,4-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline?
The InChIKey is OUEZCAAFPMZTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c1-5-15-8(16-17-5)4-14-7-3-2-6(11)9(12)10(7)13/h2-3,14H,4H2,1H3.
What are the key properties of 2,3,4-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline?
2,3,4-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline has a molecular weight of 243.19 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline is sourced from PubChem (CID 103742013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).