1-(4-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine

C12H14FN3OS — CID 55053156

IUPAC1-(4-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine
SMILESCc1nnc(SC(c2ccc(F)cc2)C(C)N)o1
InChIInChI=1S/C12H14FN3OS/c1-7(14)11(9-3-5-10(13)6-4-9)18-12-16-15-8(2)17-12/h3-7,11H,14H2,1-2H3
InChIKeyOWEOOQHFYHUACT-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.70
Rot. Bonds4

About 1-(4-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine

1-(4-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine (PubChem CID 55053156) has the molecular formula C12H14FN3OS and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine
PubChem CID55053156
Molecular FormulaC12H14FN3OS
Molecular Weight267.33 g/mol
Exact Mass267.08
IUPAC Name1-(4-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine
SMILESCc1nnc(SC(c2ccc(F)cc2)C(C)N)o1
InChIInChI=1S/C12H14FN3OS/c1-7(14)11(9-3-5-10(13)6-4-9)18-12-16-15-8(2)17-12/h3-7,11H,14H2,1-2H3
InChIKeyOWEOOQHFYHUACT-UHFFFAOYSA-N
XLogP2.70
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(Phenylmethylthio)-1,3,4-oxadiazol-2-yl]ethylamine, chloride
CID 6602772
2-(5-((2-Fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethanamine hydrochloride
CID 6603599
(1S,2R)-1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutan-1-amine hydrochloride
CID 6602708
2-{5-[(4-Fluorophenyl)methylthio]-1,3,4-oxadiazol-2-yl}ethylamine, chloride
CID 6603348
(1S)-1-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-1-amine
CID 933242
1-(5-Ethylsulfanyl-[1,3,4]oxadiazol-2-yl)-2-phenyl-ethylamine
CID 3096909
5-[5-[(4-Fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pentan-1-amine
CID 3744589
2-((2-Fluorobenzyl)thio)-5-methyl-1,3,4-oxadiazole
CID 21234038
2-((4-Fluorobenzyl)thio)-5-methyl-1,3,4-oxadiazole
CID 21234042
2-((3-Fluorobenzyl)thio)-5-methyl-1,3,4-oxadiazole
CID 52142401
2-(Benzylsulfanyl)-5-methyl-1,3,4-oxadiazole
CID 8708191
2-{5-[(4-Fluorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethanamine
CID 662925

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine (CID 55053156) is 1-(4-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine is Cc1nnc(SC(c2ccc(F)cc2)C(C)N)o1.
What is the InChIKey of 1-(4-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine?
The InChIKey is OWEOOQHFYHUACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3OS/c1-7(14)11(9-3-5-10(13)6-4-9)18-12-16-15-8(2)17-12/h3-7,11H,14H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine?
1-(4-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine has a molecular weight of 267.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine is sourced from PubChem (CID 55053156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).