1-[3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]propan-2-amine

C13H14F2N2OS — CID 106927094

IUPAC1-[3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]propan-2-amine
SMILESCc1coc(Sc2c(F)cc(CC(C)N)cc2F)n1
InChIInChI=1S/C13H14F2N2OS/c1-7(16)3-9-4-10(14)12(11(15)5-9)19-13-17-8(2)6-18-13/h4-7H,3,16H2,1-2H3
InChIKeyQSCPKUNWIZXLSX-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.30
Rot. Bonds4

About 1-[3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]propan-2-amine

1-[3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]propan-2-amine (PubChem CID 106927094) has the molecular formula C13H14F2N2OS and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]propan-2-amine
PubChem CID106927094
Molecular FormulaC13H14F2N2OS
Molecular Weight284.33 g/mol
Exact Mass284.08
IUPAC Name1-[3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]propan-2-amine
SMILESCc1coc(Sc2c(F)cc(CC(C)N)cc2F)n1
InChIInChI=1S/C13H14F2N2OS/c1-7(16)3-9-4-10(14)12(11(15)5-9)19-13-17-8(2)6-18-13/h4-7H,3,16H2,1-2H3
InChIKeyQSCPKUNWIZXLSX-UHFFFAOYSA-N
XLogP3.30
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]propan-2-amine?
The IUPAC name of 1-[3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]propan-2-amine (CID 106927094) is 1-[3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]propan-2-amine?
The canonical SMILES for 1-[3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]propan-2-amine is Cc1coc(Sc2c(F)cc(CC(C)N)cc2F)n1.
What is the InChIKey of 1-[3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]propan-2-amine?
The InChIKey is QSCPKUNWIZXLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2OS/c1-7(16)3-9-4-10(14)12(11(15)5-9)19-13-17-8(2)6-18-13/h4-7H,3,16H2,1-2H3.
What are the key properties of 1-[3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]propan-2-amine?
1-[3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]propan-2-amine has a molecular weight of 284.33 g/mol, XLogP of 3.30, 4 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-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]propan-2-amine is sourced from PubChem (CID 106927094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).