1-[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]butan-2-amine

C14H17FN2OS — CID 106927101

IUPAC1-[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Sc2nc(C)co2)c(F)c1
InChIInChI=1S/C14H17FN2OS/c1-3-11(16)6-10-4-5-13(12(15)7-10)19-14-17-9(2)8-18-14/h4-5,7-8,11H,3,6,16H2,1-2H3
InChIKeyDWJZHUHTPDVUHY-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.55
Rot. Bonds5

About 1-[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]butan-2-amine

1-[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]butan-2-amine (PubChem CID 106927101) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]butan-2-amine
PubChem CID106927101
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name1-[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Sc2nc(C)co2)c(F)c1
InChIInChI=1S/C14H17FN2OS/c1-3-11(16)6-10-4-5-13(12(15)7-10)19-14-17-9(2)8-18-14/h4-5,7-8,11H,3,6,16H2,1-2H3
InChIKeyDWJZHUHTPDVUHY-UHFFFAOYSA-N
XLogP3.55
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]butan-2-amine?
The IUPAC name of 1-[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]butan-2-amine (CID 106927101) is 1-[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]butan-2-amine?
The canonical SMILES for 1-[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]butan-2-amine is CCC(N)Cc1ccc(Sc2nc(C)co2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]butan-2-amine?
The InChIKey is DWJZHUHTPDVUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-3-11(16)6-10-4-5-13(12(15)7-10)19-14-17-9(2)8-18-14/h4-5,7-8,11H,3,6,16H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]butan-2-amine?
1-[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]butan-2-amine has a molecular weight of 280.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]butan-2-amine is sourced from PubChem (CID 106927101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).