3-(2-ethyl-5-methylphenyl)-1,2-oxazol-5-amine

C12H14N2O — CID 117290975

IUPAC3-(2-ethyl-5-methylphenyl)-1,2-oxazol-5-amine
SMILESCCc1ccc(C)cc1-c1cc(N)on1
InChIInChI=1S/C12H14N2O/c1-3-9-5-4-8(2)6-10(9)11-7-12(13)15-14-11/h4-7H,3,13H2,1-2H3
InChIKeyYTBNRSJTQQUDQV-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.79
Rot. Bonds2

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

3-(2-ethyl-5-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 117290975) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-(2-ethyl-5-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-ethyl-5-methylphenyl)-1,2-oxazol-5-amine
PubChem CID117290975
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-(2-ethyl-5-methylphenyl)-1,2-oxazol-5-amine
SMILESCCc1ccc(C)cc1-c1cc(N)on1
InChIInChI=1S/C12H14N2O/c1-3-9-5-4-8(2)6-10(9)11-7-12(13)15-14-11/h4-7H,3,13H2,1-2H3
InChIKeyYTBNRSJTQQUDQV-UHFFFAOYSA-N
XLogP2.79
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-ethyl-5-methylphenyl)-1,2-oxazol-5-amine (CID 117290975) is 3-(2-ethyl-5-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-ethyl-5-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-ethyl-5-methylphenyl)-1,2-oxazol-5-amine is CCc1ccc(C)cc1-c1cc(N)on1.
What is the InChIKey of 3-(2-ethyl-5-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is YTBNRSJTQQUDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-9-5-4-8(2)6-10(9)11-7-12(13)15-14-11/h4-7H,3,13H2,1-2H3.
What are the key properties of 3-(2-ethyl-5-methylphenyl)-1,2-oxazol-5-amine?
3-(2-ethyl-5-methylphenyl)-1,2-oxazol-5-amine has a molecular weight of 202.26 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117290975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).