1-(2-fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)butan-2-amine

C13H15FN2OS — CID 106921811

IUPAC1-(2-fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)butan-2-amine
SMILESCCC(N)C(Sc1ncco1)c1ccccc1F
InChIInChI=1S/C13H15FN2OS/c1-2-11(15)12(18-13-16-7-8-17-13)9-5-3-4-6-10(9)14/h3-8,11-12H,2,15H2,1H3
InChIKeyDQFKDUUXNVGOQA-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.38
Rot. Bonds5

About 1-(2-fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)butan-2-amine

1-(2-fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)butan-2-amine (PubChem CID 106921811) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)butan-2-amine
PubChem CID106921811
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name1-(2-fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)butan-2-amine
SMILESCCC(N)C(Sc1ncco1)c1ccccc1F
InChIInChI=1S/C13H15FN2OS/c1-2-11(15)12(18-13-16-7-8-17-13)9-5-3-4-6-10(9)14/h3-8,11-12H,2,15H2,1H3
InChIKeyDQFKDUUXNVGOQA-UHFFFAOYSA-N
XLogP3.38
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)butan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)butan-2-amine (CID 106921811) is 1-(2-fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)butan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)butan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)butan-2-amine is CCC(N)C(Sc1ncco1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)butan-2-amine?
The InChIKey is DQFKDUUXNVGOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-2-11(15)12(18-13-16-7-8-17-13)9-5-3-4-6-10(9)14/h3-8,11-12H,2,15H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)butan-2-amine?
1-(2-fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)butan-2-amine has a molecular weight of 266.34 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)butan-2-amine is sourced from PubChem (CID 106921811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).