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

C11H10F2N2OS — CID 106923735

IUPAC[3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methanamine
SMILESCc1coc(Sc2c(F)cc(CN)cc2F)n1
InChIInChI=1S/C11H10F2N2OS/c1-6-5-16-11(15-6)17-10-8(12)2-7(4-14)3-9(10)13/h2-3,5H,4,14H2,1H3
InChIKeyALLDDRBJRFBKCJ-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.87
Rot. Bonds3

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

[3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methanamine (PubChem CID 106923735) has the molecular formula C11H10F2N2OS and a molecular weight of 256.28 g/mol. Its IUPAC name is [3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methanamine.

Molecular Properties

Compound Name[3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methanamine
PubChem CID106923735
Molecular FormulaC11H10F2N2OS
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name[3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methanamine
SMILESCc1coc(Sc2c(F)cc(CN)cc2F)n1
InChIInChI=1S/C11H10F2N2OS/c1-6-5-16-11(15-6)17-10-8(12)2-7(4-14)3-9(10)13/h2-3,5H,4,14H2,1H3
InChIKeyALLDDRBJRFBKCJ-UHFFFAOYSA-N
XLogP2.87
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methanamine?
The IUPAC name of [3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methanamine (CID 106923735) is [3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methanamine.
What is the SMILES notation for [3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methanamine?
The canonical SMILES for [3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methanamine is Cc1coc(Sc2c(F)cc(CN)cc2F)n1.
What is the InChIKey of [3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methanamine?
The InChIKey is ALLDDRBJRFBKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2OS/c1-6-5-16-11(15-6)17-10-8(12)2-7(4-14)3-9(10)13/h2-3,5H,4,14H2,1H3.
What are the key properties of [3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methanamine?
[3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methanamine has a molecular weight of 256.28 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methanamine is sourced from PubChem (CID 106923735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).