2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline

C15H13FN4O — CID 107501948

IUPAC2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline
SMILESCc1cc(-c2noc(-c3cc(F)ccc3N)n2)cc(C)n1
InChIInChI=1S/C15H13FN4O/c1-8-5-10(6-9(2)18-8)14-19-15(21-20-14)12-7-11(16)3-4-13(12)17/h3-7H,17H2,1-2H3
InChIKeyDNLZPSRSPDDOQS-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.14
Rot. Bonds2

About 2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline

2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline (PubChem CID 107501948) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline.

Molecular Properties

Compound Name2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline
PubChem CID107501948
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline
SMILESCc1cc(-c2noc(-c3cc(F)ccc3N)n2)cc(C)n1
InChIInChI=1S/C15H13FN4O/c1-8-5-10(6-9(2)18-8)14-19-15(21-20-14)12-7-11(16)3-4-13(12)17/h3-7H,17H2,1-2H3
InChIKeyDNLZPSRSPDDOQS-UHFFFAOYSA-N
XLogP3.14
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43514752
2-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline
CID 107923647
4-fluoro-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62716460
2-fluoro-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63187710
4-fluoro-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65421875
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline
CID 63890195
4-fluoro-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 62797369
3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
CID 63616700
4-fluoro-2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116632760
5-chloro-2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62388389
3-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525304
4-fluoro-3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62388062

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline?
The IUPAC name of 2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline (CID 107501948) is 2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline.
What is the SMILES notation for 2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline?
The canonical SMILES for 2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline is Cc1cc(-c2noc(-c3cc(F)ccc3N)n2)cc(C)n1.
What is the InChIKey of 2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline?
The InChIKey is DNLZPSRSPDDOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-8-5-10(6-9(2)18-8)14-19-15(21-20-14)12-7-11(16)3-4-13(12)17/h3-7H,17H2,1-2H3.
What are the key properties of 2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline?
2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline has a molecular weight of 284.29 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline is sourced from PubChem (CID 107501948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).