1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine

C14H12FN3OS — CID 106392630

IUPAC1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
SMILESFc1ccc(CNCc2ncon2)cc1-c1cccs1
InChIInChI=1S/C14H12FN3OS/c15-12-4-3-10(6-11(12)13-2-1-5-20-13)7-16-8-14-17-9-19-18-14/h1-6,9,16H,7-8H2
InChIKeyBJGWJKBBZNIRQE-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.23
Rot. Bonds5

About 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine

1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine (PubChem CID 106392630) has the molecular formula C14H12FN3OS and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
PubChem CID106392630
Molecular FormulaC14H12FN3OS
Molecular Weight289.33 g/mol
Exact Mass289.07
IUPAC Name1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
SMILESFc1ccc(CNCc2ncon2)cc1-c1cccs1
InChIInChI=1S/C14H12FN3OS/c15-12-4-3-10(6-11(12)13-2-1-5-20-13)7-16-8-14-17-9-19-18-14/h1-6,9,16H,7-8H2
InChIKeyBJGWJKBBZNIRQE-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Fluorophenyl)-N-[(thiophen-2-YL)methyl]-1,2,4-oxadiazol-5-amine
CID 46342070
(3S)-3-[3-fluoro-5-[3-(1,2,4-oxadiazol-3-yl)phenyl]thiophen-2-yl]-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-5-amine
CID 126634083
(5S)-5-[3-fluoro-5-[3-(1,2,4-oxadiazol-3-yl)phenyl]thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine
CID 134480127
1-(4-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 45805716
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide
CID 55735551
1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 61104390
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-1-thiophen-2-ylmethanamine
CID 75378168
(1S)-1-(4-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 93868242
(1R)-1-(4-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 93868243
(1R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-1-thiophen-2-ylmethanamine
CID 97222710
(1S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-1-thiophen-2-ylmethanamine
CID 97222711
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 103744524

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The IUPAC name of 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine (CID 106392630) is 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The canonical SMILES for 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine is Fc1ccc(CNCc2ncon2)cc1-c1cccs1.
What is the InChIKey of 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The InChIKey is BJGWJKBBZNIRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c15-12-4-3-10(6-11(12)13-2-1-5-20-13)7-16-8-14-17-9-19-18-14/h1-6,9,16H,7-8H2.
What are the key properties of 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine has a molecular weight of 289.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine is sourced from PubChem (CID 106392630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).