1-[3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine

C13H14F2N2OS — CID 106927064

IUPAC1-[3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)c(Sc2ncco2)c(F)c1
InChIInChI=1S/C13H14F2N2OS/c1-2-9(16)5-8-6-10(14)12(11(15)7-8)19-13-17-3-4-18-13/h3-4,6-7,9H,2,5,16H2,1H3
InChIKeyDNWNQBPRFFZNOB-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.38
Rot. Bonds5

About 1-[3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine

1-[3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine (PubChem CID 106927064) has the molecular formula C13H14F2N2OS and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine
PubChem CID106927064
Molecular FormulaC13H14F2N2OS
Molecular Weight284.33 g/mol
Exact Mass284.08
IUPAC Name1-[3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)c(Sc2ncco2)c(F)c1
InChIInChI=1S/C13H14F2N2OS/c1-2-9(16)5-8-6-10(14)12(11(15)7-8)19-13-17-3-4-18-13/h3-4,6-7,9H,2,5,16H2,1H3
InChIKeyDNWNQBPRFFZNOB-UHFFFAOYSA-N
XLogP3.38
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine
CID 114057670
1-[3,5-difluoro-4-(3-methylphenyl)sulfanylphenyl]butan-2-amine
CID 63818193
1-[3,5-difluoro-4-(2-methylsulfonylethylsulfanyl)phenyl]butan-2-amine
CID 63835376
4-(2-aminobutyl)-2,6-difluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 115988051
N-[[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine
CID 106926423
4-(2-aminobutyl)-2,6-difluoro-N-methyl-N-propan-2-ylaniline
CID 63787264
1-[3,5-difluoro-4-(pyridin-3-ylmethoxy)phenyl]butan-2-amine
CID 79882772
1-[3,5-difluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 79882796
1-[4-(3-chloroprop-2-enoxy)-3,5-difluorophenyl]butan-2-amine
CID 79887693
1-[2-(1,3-oxazol-2-ylsulfanyl)phenyl]propan-1-amine
CID 106923086
(1S)-1-[5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanamine
CID 106923107
1-[3,5-difluoro-4-(2-methoxyethoxy)phenyl]butan-2-amine
CID 79888080

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine?
The IUPAC name of 1-[3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine (CID 106927064) is 1-[3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine?
The canonical SMILES for 1-[3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine is CCC(N)Cc1cc(F)c(Sc2ncco2)c(F)c1.
What is the InChIKey of 1-[3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine?
The InChIKey is DNWNQBPRFFZNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2OS/c1-2-9(16)5-8-6-10(14)12(11(15)7-8)19-13-17-3-4-18-13/h3-4,6-7,9H,2,5,16H2,1H3.
What are the key properties of 1-[3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine?
1-[3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine has a molecular weight of 284.33 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-[3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine is sourced from PubChem (CID 106927064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).