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

C12H13FN2O — CID 82127608

IUPAC2-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]ethanamine
SMILESCc1cc(-c2ncoc2CCN)ccc1F
InChIInChI=1S/C12H13FN2O/c1-8-6-9(2-3-10(8)13)12-11(4-5-14)16-7-15-12/h2-3,6-7H,4-5,14H2,1H3
InChIKeyWPMYUVYGIWYMQG-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.29
Rot. Bonds3

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

2-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]ethanamine (PubChem CID 82127608) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]ethanamine
PubChem CID82127608
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name2-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]ethanamine
SMILESCc1cc(-c2ncoc2CCN)ccc1F
InChIInChI=1S/C12H13FN2O/c1-8-6-9(2-3-10(8)13)12-11(4-5-14)16-7-15-12/h2-3,6-7H,4-5,14H2,1H3
InChIKeyWPMYUVYGIWYMQG-UHFFFAOYSA-N
XLogP2.29
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]propanoic acid
CID 82131272
2-[4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
CID 82129199
2-[4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]ethanamine
CID 82135072
2-[4-(4-ethoxyphenyl)-1,3-oxazol-5-yl]ethanamine
CID 94685630
2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 39353020
2-[4-(3,4-dimethylphenyl)-1,3-oxazol-5-yl]acetic acid
CID 82128624
[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-[6-fluoro-2-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 82530532
2-[2-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethanamine
CID 62745029
2-[4-(5-methyl-1,3-oxazol-4-yl)phenyl]ethanamine
CID 105454401
4-(3-bromo-4-fluorophenyl)-5-methyl-1,3-oxazole
CID 115047663

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]ethanamine?
The IUPAC name of 2-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]ethanamine (CID 82127608) is 2-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]ethanamine is Cc1cc(-c2ncoc2CCN)ccc1F.
What is the InChIKey of 2-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]ethanamine?
The InChIKey is WPMYUVYGIWYMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-8-6-9(2-3-10(8)13)12-11(4-5-14)16-7-15-12/h2-3,6-7H,4-5,14H2,1H3.
What are the key properties of 2-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]ethanamine?
2-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]ethanamine has a molecular weight of 220.25 g/mol, XLogP of 2.29, 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)-1,3-oxazol-5-yl]ethanamine is sourced from PubChem (CID 82127608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).