4-(2,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine

C12H14N2O — CID 82469635

IUPAC4-(2,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine
SMILESCc1ccc(-c2c(N)noc2C)c(C)c1
InChIInChI=1S/C12H14N2O/c1-7-4-5-10(8(2)6-7)11-9(3)15-14-12(11)13/h4-6H,1-3H3,(H2,13,14)
InChIKeyNIQLPMIKILSCJC-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.85
Rot. Bonds1

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

4-(2,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine (PubChem CID 82469635) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine
PubChem CID82469635
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name4-(2,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine
SMILESCc1ccc(-c2c(N)noc2C)c(C)c1
InChIInChI=1S/C12H14N2O/c1-7-4-5-10(8(2)6-7)11-9(3)15-14-12(11)13/h4-6H,1-3H3,(H2,13,14)
InChIKeyNIQLPMIKILSCJC-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 4-(2,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of 4-(2,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine (CID 82469635) is 4-(2,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine is Cc1ccc(-c2c(N)noc2C)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine?
The InChIKey is NIQLPMIKILSCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-7-4-5-10(8(2)6-7)11-9(3)15-14-12(11)13/h4-6H,1-3H3,(H2,13,14).
What are the key properties of 4-(2,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine?
4-(2,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-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 4-(2,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 82469635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).