2,4-difluoro-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline

C14H10F2N4O — CID 62551044

IUPAC2,4-difluoro-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESNc1cc(-c2nc(Cc3cccnc3)no2)c(F)cc1F
InChIInChI=1S/C14H10F2N4O/c15-10-6-11(16)12(17)5-9(10)14-19-13(20-21-14)4-8-2-1-3-18-7-8/h1-3,5-7H,4,17H2
InChIKeyRDCVEIDSMGWIBC-UHFFFAOYSA-N
MW288.26 g/mol
LogP2.58
Rot. Bonds3

About 2,4-difluoro-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline

2,4-difluoro-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 62551044) has the molecular formula C14H10F2N4O and a molecular weight of 288.26 g/mol. Its IUPAC name is 2,4-difluoro-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name2,4-difluoro-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID62551044
Molecular FormulaC14H10F2N4O
Molecular Weight288.26 g/mol
Exact Mass288.08
IUPAC Name2,4-difluoro-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESNc1cc(-c2nc(Cc3cccnc3)no2)c(F)cc1F
InChIInChI=1S/C14H10F2N4O/c15-10-6-11(16)12(17)5-9(10)14-19-13(20-21-14)4-8-2-1-3-18-7-8/h1-3,5-7H,4,17H2
InChIKeyRDCVEIDSMGWIBC-UHFFFAOYSA-N
XLogP2.58
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.58
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

Pifexole
CID 65758
Azd-9272
CID 9838729
Azd6538
CID 9879103
2-[5-(3-Chlorophenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 650707
VU0285683
CID 9816778
NS9283
CID 11998180
2-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763882
4-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763855
5-(3-Nitrophenyl)-3-(2-pyridyl)-1,2,4-oxadiazole
CID 867096
2-(5-o-Tolyl-[1,2,4]oxadiazol-3-yl)-pyridine
CID 700561
3-(2-Pyridyl)-5-(3-fluorophenyl)-1,2,4-oxadiazole
CID 6463470
3-(Pyridin-2-yl)-5-(3,5-difluorophenyl)-1,2,4-oxadiazole
CID 9881610

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 2,4-difluoro-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline (CID 62551044) is 2,4-difluoro-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 2,4-difluoro-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 2,4-difluoro-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline is Nc1cc(-c2nc(Cc3cccnc3)no2)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is RDCVEIDSMGWIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4O/c15-10-6-11(16)12(17)5-9(10)14-19-13(20-21-14)4-8-2-1-3-18-7-8/h1-3,5-7H,4,17H2.
What are the key properties of 2,4-difluoro-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline?
2,4-difluoro-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 288.26 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 62551044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).