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

C11H11FN2OS — CID 106923808

IUPAC[4-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine
SMILESNCc1ccc(F)cc1CSc1ncco1
InChIInChI=1S/C11H11FN2OS/c12-10-2-1-8(6-13)9(5-10)7-16-11-14-3-4-15-11/h1-5H,6-7,13H2
InChIKeyAYLPGCQQQRLHKA-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.56
Rot. Bonds4

About [4-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine

[4-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine (PubChem CID 106923808) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is [4-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine
PubChem CID106923808
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name[4-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine
SMILESNCc1ccc(F)cc1CSc1ncco1
InChIInChI=1S/C11H11FN2OS/c12-10-2-1-8(6-13)9(5-10)7-16-11-14-3-4-15-11/h1-5H,6-7,13H2
InChIKeyAYLPGCQQQRLHKA-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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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine?
The IUPAC name of [4-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine (CID 106923808) is [4-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine.
What is the SMILES notation for [4-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine?
The canonical SMILES for [4-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine is NCc1ccc(F)cc1CSc1ncco1.
What is the InChIKey of [4-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine?
The InChIKey is AYLPGCQQQRLHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c12-10-2-1-8(6-13)9(5-10)7-16-11-14-3-4-15-11/h1-5H,6-7,13H2.
What are the key properties of [4-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine?
[4-fluoro-2-(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 [4-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine is sourced from PubChem (CID 106923808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).