[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine

C10H10FN3O — CID 63211461

IUPAC[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCc1cc(-c2nc(CN)no2)ccc1F
InChIInChI=1S/C10H10FN3O/c1-6-4-7(2-3-8(6)11)10-13-9(5-12)14-15-10/h2-4H,5,12H2,1H3
InChIKeyKDDWEPIBSJCVBC-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.64
Rot. Bonds2

About [5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine

[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 63211461) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is [5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID63211461
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCc1cc(-c2nc(CN)no2)ccc1F
InChIInChI=1S/C10H10FN3O/c1-6-4-7(2-3-8(6)11)10-13-9(5-12)14-15-10/h2-4H,5,12H2,1H3
InChIKeyKDDWEPIBSJCVBC-UHFFFAOYSA-N
XLogP1.64
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336064
3-bromo-5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole
CID 112571626
[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61326008
2-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 81476100
[5-(4-iodophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61323759
5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63383042
N',N'-diethyl-1-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635568
[3-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
CID 82371436
5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 79078355
2-[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336066
1-ethoxy-2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636768
2-fluoro-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 79953704

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine (CID 63211461) is [5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine is Cc1cc(-c2nc(CN)no2)ccc1F.
What is the InChIKey of [5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is KDDWEPIBSJCVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c1-6-4-7(2-3-8(6)11)10-13-9(5-12)14-15-10/h2-4H,5,12H2,1H3.
What are the key properties of [5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine?
[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 207.21 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 63211461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).