[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine

C14H11F2N3OS — CID 115284923

IUPAC[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
SMILESNC(c1nc(Cc2cc(F)cc(F)c2)no1)c1cccs1
InChIInChI=1S/C14H11F2N3OS/c15-9-4-8(5-10(16)7-9)6-12-18-14(20-19-12)13(17)11-2-1-3-21-11/h1-5,7,13H,6,17H2
InChIKeyHDXWTOLBMRWUDR-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.05
Rot. Bonds4

About [3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine

[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine (PubChem CID 115284923) has the molecular formula C14H11F2N3OS and a molecular weight of 307.33 g/mol. Its IUPAC name is [3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
PubChem CID115284923
Molecular FormulaC14H11F2N3OS
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
SMILESNC(c1nc(Cc2cc(F)cc(F)c2)no1)c1cccs1
InChIInChI=1S/C14H11F2N3OS/c15-9-4-8(5-10(16)7-9)6-12-18-14(20-19-12)13(17)11-2-1-3-21-11/h1-5,7,13H,6,17H2
InChIKeyHDXWTOLBMRWUDR-UHFFFAOYSA-N
XLogP3.05
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-butyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine
CID 115285006
1-amino-1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 61496533
(1S)-2-amino-1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 107836774
[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115285012
5-(1-chloroethyl)-3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazole
CID 54959267
1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine
CID 62478079
(1R)-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 94458021
[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115284912
[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 113278812
3-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 63350013
3-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
CID 63349816
[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115285007

Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine?
The IUPAC name of [3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine (CID 115284923) is [3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine.
What is the SMILES notation for [3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine?
The canonical SMILES for [3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine is NC(c1nc(Cc2cc(F)cc(F)c2)no1)c1cccs1.
What is the InChIKey of [3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine?
The InChIKey is HDXWTOLBMRWUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3OS/c15-9-4-8(5-10(16)7-9)6-12-18-14(20-19-12)13(17)11-2-1-3-21-11/h1-5,7,13H,6,17H2.
What are the key properties of [3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine?
[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine has a molecular weight of 307.33 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine is sourced from PubChem (CID 115284923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).