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

C15H13FN4O — CID 107795573

IUPAC4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
SMILESCc1cnc(-c2noc(-c3ccc(N)cc3F)n2)c(C)c1
InChIInChI=1S/C15H13FN4O/c1-8-5-9(2)13(18-7-8)14-19-15(21-20-14)11-4-3-10(17)6-12(11)16/h3-7H,17H2,1-2H3
InChIKeyZOXRNEYKYMAKSV-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.14
Rot. Bonds2

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

4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline (PubChem CID 107795573) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline.

Molecular Properties

Compound Name4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
PubChem CID107795573
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
SMILESCc1cnc(-c2noc(-c3ccc(N)cc3F)n2)c(C)c1
InChIInChI=1S/C15H13FN4O/c1-8-5-9(2)13(18-7-8)14-19-15(21-20-14)11-4-3-10(17)6-12(11)16/h3-7H,17H2,1-2H3
InChIKeyZOXRNEYKYMAKSV-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-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 107795586
3-fluoro-4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107795545
4-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 107795645
3-fluoro-4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107795650
4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 107795657
3-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63841342
4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile
CID 136770964
3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 81261221
4-fluoro-3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62388062
3-fluoro-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 114002284
4-[5-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 62510834
1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 113365455

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline?
The IUPAC name of 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline (CID 107795573) is 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline.
What is the SMILES notation for 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline?
The canonical SMILES for 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline is Cc1cnc(-c2noc(-c3ccc(N)cc3F)n2)c(C)c1.
What is the InChIKey of 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline?
The InChIKey is ZOXRNEYKYMAKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-8-5-9(2)13(18-7-8)14-19-15(21-20-14)11-4-3-10(17)6-12(11)16/h3-7H,17H2,1-2H3.
What are the key properties of 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline?
4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-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 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline is sourced from PubChem (CID 107795573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).