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

C12H14N2O — CID 116832317

IUPAC5-(2,3,4-trimethylphenyl)-1,3-oxazol-2-amine
SMILESCc1ccc(-c2cnc(N)o2)c(C)c1C
InChIInChI=1S/C12H14N2O/c1-7-4-5-10(9(3)8(7)2)11-6-14-12(13)15-11/h4-6H,1-3H3,(H2,13,14)
InChIKeyJODWWTTXFAHBCK-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.85
Rot. Bonds1

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

5-(2,3,4-trimethylphenyl)-1,3-oxazol-2-amine (PubChem CID 116832317) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-(2,3,4-trimethylphenyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-(2,3,4-trimethylphenyl)-1,3-oxazol-2-amine
PubChem CID116832317
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name5-(2,3,4-trimethylphenyl)-1,3-oxazol-2-amine
SMILESCc1ccc(-c2cnc(N)o2)c(C)c1C
InChIInChI=1S/C12H14N2O/c1-7-4-5-10(9(3)8(7)2)11-6-14-12(13)15-11/h4-6H,1-3H3,(H2,13,14)
InChIKeyJODWWTTXFAHBCK-UHFFFAOYSA-N
XLogP2.85
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4-trimethylphenyl)-1,3-oxazol-2-amine?
The IUPAC name of 5-(2,3,4-trimethylphenyl)-1,3-oxazol-2-amine (CID 116832317) is 5-(2,3,4-trimethylphenyl)-1,3-oxazol-2-amine.
What is the SMILES notation for 5-(2,3,4-trimethylphenyl)-1,3-oxazol-2-amine?
The canonical SMILES for 5-(2,3,4-trimethylphenyl)-1,3-oxazol-2-amine is Cc1ccc(-c2cnc(N)o2)c(C)c1C.
What is the InChIKey of 5-(2,3,4-trimethylphenyl)-1,3-oxazol-2-amine?
The InChIKey is JODWWTTXFAHBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-7-4-5-10(9(3)8(7)2)11-6-14-12(13)15-11/h4-6H,1-3H3,(H2,13,14).
What are the key properties of 5-(2,3,4-trimethylphenyl)-1,3-oxazol-2-amine?
5-(2,3,4-trimethylphenyl)-1,3-oxazol-2-amine has a molecular weight of 202.26 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4-trimethylphenyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 116832317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).