[4-(4-fluorophenyl)-5-methyl-1,3-oxazol-2-yl]methanamine

C11H11FN2O — CID 82283251

IUPAC[4-(4-fluorophenyl)-5-methyl-1,3-oxazol-2-yl]methanamine
SMILESCc1oc(CN)nc1-c1ccc(F)cc1
InChIInChI=1S/C11H11FN2O/c1-7-11(14-10(6-13)15-7)8-2-4-9(12)5-3-8/h2-5H,6,13H2,1H3
InChIKeyJISPNYKNDLWZDC-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.25
Rot. Bonds2

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

[4-(4-fluorophenyl)-5-methyl-1,3-oxazol-2-yl]methanamine (PubChem CID 82283251) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-5-methyl-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-5-methyl-1,3-oxazol-2-yl]methanamine
PubChem CID82283251
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name[4-(4-fluorophenyl)-5-methyl-1,3-oxazol-2-yl]methanamine
SMILESCc1oc(CN)nc1-c1ccc(F)cc1
InChIInChI=1S/C11H11FN2O/c1-7-11(14-10(6-13)15-7)8-2-4-9(12)5-3-8/h2-5H,6,13H2,1H3
InChIKeyJISPNYKNDLWZDC-UHFFFAOYSA-N
XLogP2.25
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-methyl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-yl]methanamine
CID 82280585
[5-methyl-4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine
CID 95466695
4-(4-fluorophenyl)-5-methyl-1,3-oxazole-2-carbaldehyde
CID 105457027
4-(3-bromo-4-fluorophenyl)-2-ethyl-5-methyl-1,3-oxazole
CID 115052084
[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methanamine
CID 43649221
2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-2-yl]ethanamine
CID 82288890
[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]methanamine
CID 28908693
[3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]methanamine
CID 83848218
2,3,5,6-tetrakis(4-fluorophenyl)pyrazine
CID 132966321
[6-(4-fluorophenyl)-5-methoxypyrazin-2-yl]methanamine
CID 83850539
4-[2-(difluoromethyl)-5-methyl-1,3-oxazol-4-yl]aniline
CID 90046829
2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 82285806

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-5-methyl-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [4-(4-fluorophenyl)-5-methyl-1,3-oxazol-2-yl]methanamine (CID 82283251) is [4-(4-fluorophenyl)-5-methyl-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [4-(4-fluorophenyl)-5-methyl-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [4-(4-fluorophenyl)-5-methyl-1,3-oxazol-2-yl]methanamine is Cc1oc(CN)nc1-c1ccc(F)cc1.
What is the InChIKey of [4-(4-fluorophenyl)-5-methyl-1,3-oxazol-2-yl]methanamine?
The InChIKey is JISPNYKNDLWZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-7-11(14-10(6-13)15-7)8-2-4-9(12)5-3-8/h2-5H,6,13H2,1H3.
What are the key properties of [4-(4-fluorophenyl)-5-methyl-1,3-oxazol-2-yl]methanamine?
[4-(4-fluorophenyl)-5-methyl-1,3-oxazol-2-yl]methanamine has a molecular weight of 206.22 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-5-methyl-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 82283251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).