4-(3-ethylphenyl)-1,2-oxazol-5-amine

C11H12N2O — CID 117281180

IUPAC4-(3-ethylphenyl)-1,2-oxazol-5-amine
SMILESCCc1cccc(-c2cnoc2N)c1
InChIInChI=1S/C11H12N2O/c1-2-8-4-3-5-9(6-8)10-7-13-14-11(10)12/h3-7H,2,12H2,1H3
InChIKeyLVZAAGPKHZZVFB-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.49
Rot. Bonds2

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

4-(3-ethylphenyl)-1,2-oxazol-5-amine (PubChem CID 117281180) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-(3-ethylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-ethylphenyl)-1,2-oxazol-5-amine
PubChem CID117281180
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name4-(3-ethylphenyl)-1,2-oxazol-5-amine
SMILESCCc1cccc(-c2cnoc2N)c1
InChIInChI=1S/C11H12N2O/c1-2-8-4-3-5-9(6-8)10-7-13-14-11(10)12/h3-7H,2,12H2,1H3
InChIKeyLVZAAGPKHZZVFB-UHFFFAOYSA-N
XLogP2.49
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-ethylphenyl)-1,2-oxazol-5-amine (CID 117281180) is 4-(3-ethylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-ethylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-ethylphenyl)-1,2-oxazol-5-amine is CCc1cccc(-c2cnoc2N)c1.
What is the InChIKey of 4-(3-ethylphenyl)-1,2-oxazol-5-amine?
The InChIKey is LVZAAGPKHZZVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-8-4-3-5-9(6-8)10-7-13-14-11(10)12/h3-7H,2,12H2,1H3.
What are the key properties of 4-(3-ethylphenyl)-1,2-oxazol-5-amine?
4-(3-ethylphenyl)-1,2-oxazol-5-amine has a molecular weight of 188.23 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117281180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).