[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methanamine

C12H14N2O — CID 28808393

IUPAC[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methanamine
SMILESCc1ccc(C)c(-c2cc(CN)no2)c1
InChIInChI=1S/C12H14N2O/c1-8-3-4-9(2)11(5-8)12-6-10(7-13)14-15-12/h3-6H,7,13H2,1-2H3
InChIKeyCFMDNSBXKXBCSM-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.42
Rot. Bonds2

About [5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methanamine

[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methanamine (PubChem CID 28808393) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is [5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methanamine
PubChem CID28808393
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methanamine
SMILESCc1ccc(C)c(-c2cc(CN)no2)c1
InChIInChI=1S/C12H14N2O/c1-8-3-4-9(2)11(5-8)12-6-10(7-13)14-15-12/h3-6H,7,13H2,1-2H3
InChIKeyCFMDNSBXKXBCSM-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methanamine (CID 28808393) is [5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methanamine is Cc1ccc(C)c(-c2cc(CN)no2)c1.
What is the InChIKey of [5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methanamine?
The InChIKey is CFMDNSBXKXBCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8-3-4-9(2)11(5-8)12-6-10(7-13)14-15-12/h3-6H,7,13H2,1-2H3.
What are the key properties of [5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methanamine?
[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methanamine has a molecular weight of 202.26 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 28808393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).