[3-fluoro-5-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine

C11H11FN2OS — CID 106923789

IUPAC[3-fluoro-5-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine
SMILESNCc1cc(F)cc(CSc2ncco2)c1
InChIInChI=1S/C11H11FN2OS/c12-10-4-8(6-13)3-9(5-10)7-16-11-14-1-2-15-11/h1-5H,6-7,13H2
InChIKeySRTNHTVETIYUDZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.56
Rot. Bonds4

About [3-fluoro-5-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine

[3-fluoro-5-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine (PubChem CID 106923789) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is [3-fluoro-5-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-5-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine
PubChem CID106923789
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name[3-fluoro-5-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine
SMILESNCc1cc(F)cc(CSc2ncco2)c1
InChIInChI=1S/C11H11FN2OS/c12-10-4-8(6-13)3-9(5-10)7-16-11-14-1-2-15-11/h1-5H,6-7,13H2
InChIKeySRTNHTVETIYUDZ-UHFFFAOYSA-N
XLogP2.56
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,6-Difluoro-3-methylphenyl)methylsulfinyl]-1,3-oxazole
CID 67022440
2-[(2,6-Difluorophenyl)methylsulfanyl]-1,3-oxazole
CID 67022476
2-[(2,6-Difluoro-3-methylphenyl)methylsulfanyl]-1,3-oxazole
CID 67022564
2-[(2,5-Difluorophenyl)methylsulfinyl]-1,3-oxazole
CID 67022566
2-[(2,6-Difluoro-3-methylphenyl)methylsulfonyl]-1,3-oxazole
CID 67022678
2-[(2,6-Difluorophenyl)methylsulfinyl]-1,3-oxazole
CID 67022683
2-[(2,6-Difluorophenyl)methylsulfonyl]-1,3-oxazole
CID 67022707
2-[(2,5-Difluorophenyl)methylsulfonyl]-1,3-oxazole
CID 67022731
2-[(2,5-Difluorophenyl)methylsulfanyl]-1,3-oxazole
CID 67022830
2-[(3-Fluoro-4-nitrophenyl)methylsulfanyl]-1,3-oxazole
CID 106921271
2-(3-Fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106921761
2-(4-Fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106921768

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine?
The IUPAC name of [3-fluoro-5-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine (CID 106923789) is [3-fluoro-5-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-5-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine?
The canonical SMILES for [3-fluoro-5-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine is NCc1cc(F)cc(CSc2ncco2)c1.
What is the InChIKey of [3-fluoro-5-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine?
The InChIKey is SRTNHTVETIYUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c12-10-4-8(6-13)3-9(5-10)7-16-11-14-1-2-15-11/h1-5H,6-7,13H2.
What are the key properties of [3-fluoro-5-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine?
[3-fluoro-5-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine has a molecular weight of 238.29 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine is sourced from PubChem (CID 106923789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).