3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline

C14H10FN3O — CID 42281998

IUPAC3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
SMILESNc1cccc(-c2noc(-c3ccccc3F)n2)c1
InChIInChI=1S/C14H10FN3O/c15-12-7-2-1-6-11(12)14-17-13(18-19-14)9-4-3-5-10(16)8-9/h1-8H,16H2
InChIKeyRTNQIBXXYJIDEX-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.12
Rot. Bonds2

About 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline

3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline (PubChem CID 42281998) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
PubChem CID42281998
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
SMILESNc1cccc(-c2noc(-c3ccccc3F)n2)c1
InChIInChI=1S/C14H10FN3O/c15-12-7-2-1-6-11(12)14-17-13(18-19-14)9-4-3-5-10(16)8-9/h1-8H,16H2
InChIKeyRTNQIBXXYJIDEX-UHFFFAOYSA-N
XLogP3.12
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525304
3-[5-(2,3,4-trifluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 79755139
[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanediol
CID 123369622
sodium 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate
CID 23705996
3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63092079
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 28534056
2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-6-fluoroaniline
CID 81497947
2-amino-2-(hydroxymethyl)propane-1,3-diol;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 91884623
[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamic acid
CID 91226224
2-amino-6-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712713
3-[3-(2-iodophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 23008151
5-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-hydroxybenzoic acid
CID 135924068

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline (CID 42281998) is 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline is Nc1cccc(-c2noc(-c3ccccc3F)n2)c1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline?
The InChIKey is RTNQIBXXYJIDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-12-7-2-1-6-11(12)14-17-13(18-19-14)9-4-3-5-10(16)8-9/h1-8H,16H2.
What are the key properties of 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline?
3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline has a molecular weight of 255.25 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline is sourced from PubChem (CID 42281998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).