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

C11H11FN2OS — CID 106923738

IUPAC[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methanamine
SMILESCc1coc(Sc2ccc(CN)cc2F)n1
InChIInChI=1S/C11H11FN2OS/c1-7-6-15-11(14-7)16-10-3-2-8(5-13)4-9(10)12/h2-4,6H,5,13H2,1H3
InChIKeyCJZPVEIXIOZEPB-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.73
Rot. Bonds3

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

[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methanamine (PubChem CID 106923738) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is [3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methanamine
PubChem CID106923738
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methanamine
SMILESCc1coc(Sc2ccc(CN)cc2F)n1
InChIInChI=1S/C11H11FN2OS/c1-7-6-15-11(14-7)16-10-3-2-8(5-13)4-9(10)12/h2-4,6H,5,13H2,1H3
InChIKeyCJZPVEIXIOZEPB-UHFFFAOYSA-N
XLogP2.73
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methanamine?
The IUPAC name of [3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methanamine (CID 106923738) is [3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methanamine is Cc1coc(Sc2ccc(CN)cc2F)n1.
What is the InChIKey of [3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methanamine?
The InChIKey is CJZPVEIXIOZEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c1-7-6-15-11(14-7)16-10-3-2-8(5-13)4-9(10)12/h2-4,6H,5,13H2,1H3.
What are the key properties of [3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methanamine?
[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methanamine has a molecular weight of 238.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methanamine is sourced from PubChem (CID 106923738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).