4-(2,5-dimethylphenyl)-3-ethyl-1,2-oxazol-5-amine

C13H16N2O — CID 82078789

IUPAC4-(2,5-dimethylphenyl)-3-ethyl-1,2-oxazol-5-amine
SMILESCCc1noc(N)c1-c1cc(C)ccc1C
InChIInChI=1S/C13H16N2O/c1-4-11-12(13(14)16-15-11)10-7-8(2)5-6-9(10)3/h5-7H,4,14H2,1-3H3
InChIKeyQAAHRVGPUAGSHO-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.10
Rot. Bonds2

About 4-(2,5-dimethylphenyl)-3-ethyl-1,2-oxazol-5-amine

4-(2,5-dimethylphenyl)-3-ethyl-1,2-oxazol-5-amine (PubChem CID 82078789) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-3-ethyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-3-ethyl-1,2-oxazol-5-amine
PubChem CID82078789
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-(2,5-dimethylphenyl)-3-ethyl-1,2-oxazol-5-amine
SMILESCCc1noc(N)c1-c1cc(C)ccc1C
InChIInChI=1S/C13H16N2O/c1-4-11-12(13(14)16-15-11)10-7-8(2)5-6-9(10)3/h5-7H,4,14H2,1-3H3
InChIKeyQAAHRVGPUAGSHO-UHFFFAOYSA-N
XLogP3.10
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-4-(2,5-dimethylphenyl)-1,2-oxazol-5-amine
CID 82081360
4-(2,4-dimethylphenyl)-3-(2-methoxyethyl)-1,2-oxazol-5-amine
CID 82086131
methyl 5-amino-4-(2,5-dimethylphenyl)-1,2-oxazole-3-carboxylate
CID 82086057
4-(2-methoxy-5-methylphenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine
CID 43335915
3-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43158169
3-ethyl-4-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 82083559
4-(2-methylphenyl)-3-pentyl-1,2-oxazol-5-amine
CID 43157921
3-(2-fluoro-5-methylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 62514498
3-(2,4-dimethylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335592
3-butyl-4-(3,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 55130857
3-ethyl-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 80523163
3-butyl-4-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine
CID 82089595

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-3-ethyl-1,2-oxazol-5-amine?
The IUPAC name of 4-(2,5-dimethylphenyl)-3-ethyl-1,2-oxazol-5-amine (CID 82078789) is 4-(2,5-dimethylphenyl)-3-ethyl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-3-ethyl-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2,5-dimethylphenyl)-3-ethyl-1,2-oxazol-5-amine is CCc1noc(N)c1-c1cc(C)ccc1C.
What is the InChIKey of 4-(2,5-dimethylphenyl)-3-ethyl-1,2-oxazol-5-amine?
The InChIKey is QAAHRVGPUAGSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-4-11-12(13(14)16-15-11)10-7-8(2)5-6-9(10)3/h5-7H,4,14H2,1-3H3.
What are the key properties of 4-(2,5-dimethylphenyl)-3-ethyl-1,2-oxazol-5-amine?
4-(2,5-dimethylphenyl)-3-ethyl-1,2-oxazol-5-amine has a molecular weight of 216.28 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-3-ethyl-1,2-oxazol-5-amine is sourced from PubChem (CID 82078789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).