4-fluoro-N-[2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)ethyl]aniline

C14H12FN3OS — CID 1133765

IUPAC4-fluoro-N-[2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)ethyl]aniline
SMILESFc1ccc(NCCc2noc(-c3cccs3)n2)cc1
InChIInChI=1S/C14H12FN3OS/c15-10-3-5-11(6-4-10)16-8-7-13-17-14(19-18-13)12-2-1-9-20-12/h1-6,9,16H,7-8H2
InChIKeyKWJXXTQMPVNSIQ-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.59
Rot. Bonds5

About 4-fluoro-N-[2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)ethyl]aniline

4-fluoro-N-[2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)ethyl]aniline (PubChem CID 1133765) has the molecular formula C14H12FN3OS and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-fluoro-N-[2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)ethyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)ethyl]aniline
PubChem CID1133765
Molecular FormulaC14H12FN3OS
Molecular Weight289.33 g/mol
Exact Mass289.07
IUPAC Name4-fluoro-N-[2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)ethyl]aniline
SMILESFc1ccc(NCCc2noc(-c3cccs3)n2)cc1
InChIInChI=1S/C14H12FN3OS/c15-10-3-5-11(6-4-10)16-8-7-13-17-14(19-18-13)12-2-1-9-20-12/h1-6,9,16H,7-8H2
InChIKeyKWJXXTQMPVNSIQ-UHFFFAOYSA-N
XLogP3.59
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluorophenyl)-[4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 38906192
3,3,3-trifluoro-2-methyl-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid
CID 79791998
3-fluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 51097703
N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70746856
3-[4-(4-fluorophenoxy)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53103359
2-methyl-2-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
CID 115638239
5-thiophen-2-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole
CID 10014918
2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 25220755
2,3-difluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 50755903
2-methyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 50977974
N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dithiepan-6-amine
CID 131907211
(2R)-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methoxy]propanoic acid
CID 104875390

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)ethyl]aniline?
The IUPAC name of 4-fluoro-N-[2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)ethyl]aniline (CID 1133765) is 4-fluoro-N-[2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)ethyl]aniline.
What is the SMILES notation for 4-fluoro-N-[2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)ethyl]aniline?
The canonical SMILES for 4-fluoro-N-[2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)ethyl]aniline is Fc1ccc(NCCc2noc(-c3cccs3)n2)cc1.
What is the InChIKey of 4-fluoro-N-[2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)ethyl]aniline?
The InChIKey is KWJXXTQMPVNSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c15-10-3-5-11(6-4-10)16-8-7-13-17-14(19-18-13)12-2-1-9-20-12/h1-6,9,16H,7-8H2.
What are the key properties of 4-fluoro-N-[2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)ethyl]aniline?
4-fluoro-N-[2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)ethyl]aniline has a molecular weight of 289.33 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)ethyl]aniline is sourced from PubChem (CID 1133765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).