2-[4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine

C13H15FN2O — CID 82129199

IUPAC2-[4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
SMILESCc1nc(-c2ccc(F)c(C)c2)c(CCN)o1
InChIInChI=1S/C13H15FN2O/c1-8-7-10(3-4-11(8)14)13-12(5-6-15)17-9(2)16-13/h3-4,7H,5-6,15H2,1-2H3
InChIKeyBIFXUPQTTVONMC-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.60
Rot. Bonds3

About 2-[4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine

2-[4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine (PubChem CID 82129199) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 2-[4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
PubChem CID82129199
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name2-[4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
SMILESCc1nc(-c2ccc(F)c(C)c2)c(CCN)o1
InChIInChI=1S/C13H15FN2O/c1-8-7-10(3-4-11(8)14)13-12(5-6-15)17-9(2)16-13/h3-4,7H,5-6,15H2,1-2H3
InChIKeyBIFXUPQTTVONMC-UHFFFAOYSA-N
XLogP2.60
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]ethanamine
CID 82127608
2-[2-methyl-4-(2,4,6-trimethylphenyl)-1,3-oxazol-5-yl]ethanamine
CID 82130395
2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 39353020
2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-2-yl]ethanamine
CID 82288890
[4-(4-fluoro-3-methylphenyl)thiadiazol-5-yl]methanamine
CID 82391992
[3-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
CID 82371436
2-[8-fluoro-2-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 82529762
2-[6-fluoro-2-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 82530532
2-[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
CID 94693410
2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
CID 82045060
2-[2-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethanamine
CID 62745029
2-[5-(4-fluoro-3-methylphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82475862

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine?
The IUPAC name of 2-[4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine (CID 82129199) is 2-[4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine is Cc1nc(-c2ccc(F)c(C)c2)c(CCN)o1.
What is the InChIKey of 2-[4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine?
The InChIKey is BIFXUPQTTVONMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-8-7-10(3-4-11(8)14)13-12(5-6-15)17-9(2)16-13/h3-4,7H,5-6,15H2,1-2H3.
What are the key properties of 2-[4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine?
2-[4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine has a molecular weight of 234.27 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine is sourced from PubChem (CID 82129199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).