[5-(2,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine

C13H16N2O — CID 82078799

IUPAC[5-(2,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
SMILESCc1ccc(C)c(-c2oc(CN)nc2C)c1
InChIInChI=1S/C13H16N2O/c1-8-4-5-9(2)11(6-8)13-10(3)15-12(7-14)16-13/h4-6H,7,14H2,1-3H3
InChIKeyOCEOUZYOCGEQJB-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.73
Rot. Bonds2

About [5-(2,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine

[5-(2,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine (PubChem CID 82078799) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is [5-(2,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
PubChem CID82078799
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name[5-(2,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
SMILESCc1ccc(C)c(-c2oc(CN)nc2C)c1
InChIInChI=1S/C13H16N2O/c1-8-4-5-9(2)11(6-8)13-10(3)15-12(7-14)16-13/h4-6H,7,14H2,1-3H3
InChIKeyOCEOUZYOCGEQJB-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
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)-4-methyl-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-(2,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine (CID 82078799) is [5-(2,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-(2,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-(2,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine is Cc1ccc(C)c(-c2oc(CN)nc2C)c1.
What is the InChIKey of [5-(2,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine?
The InChIKey is OCEOUZYOCGEQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8-4-5-9(2)11(6-8)13-10(3)15-12(7-14)16-13/h4-6H,7,14H2,1-3H3.
What are the key properties of [5-(2,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine?
[5-(2,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine has a molecular weight of 216.28 g/mol, XLogP of 2.73, 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)-4-methyl-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 82078799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).