3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-5-methylphenol

C10H10FN3O2 — CID 117319099

IUPAC3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-5-methylphenol
SMILESCc1cc(O)cc(-c2noc(CN)n2)c1F
InChIInChI=1S/C10H10FN3O2/c1-5-2-6(15)3-7(9(5)11)10-13-8(4-12)16-14-10/h2-3,15H,4,12H2,1H3
InChIKeyQLCMYNSFCLAHFY-UHFFFAOYSA-N
MW223.21 g/mol
LogP1.35
Rot. Bonds2

About 3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-5-methylphenol

3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-5-methylphenol (PubChem CID 117319099) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is 3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-5-methylphenol.

Molecular Properties

Compound Name3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-5-methylphenol
PubChem CID117319099
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-5-methylphenol
SMILESCc1cc(O)cc(-c2noc(CN)n2)c1F
InChIInChI=1S/C10H10FN3O2/c1-5-2-6(15)3-7(9(5)11)10-13-8(4-12)16-14-10/h2-3,15H,4,12H2,1H3
InChIKeyQLCMYNSFCLAHFY-UHFFFAOYSA-N
XLogP1.35
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-5-methylphenol?
The IUPAC name of 3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-5-methylphenol (CID 117319099) is 3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-5-methylphenol.
What is the SMILES notation for 3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-5-methylphenol?
The canonical SMILES for 3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-5-methylphenol is Cc1cc(O)cc(-c2noc(CN)n2)c1F.
What is the InChIKey of 3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-5-methylphenol?
The InChIKey is QLCMYNSFCLAHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c1-5-2-6(15)3-7(9(5)11)10-13-8(4-12)16-14-10/h2-3,15H,4,12H2,1H3.
What are the key properties of 3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-5-methylphenol?
3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-5-methylphenol has a molecular weight of 223.21 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-5-methylphenol is sourced from PubChem (CID 117319099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).