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

C12H14N2O — CID 66201499

IUPAC4-(3,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine
SMILESCc1ccc(-c2c(N)noc2C)cc1C
InChIInChI=1S/C12H14N2O/c1-7-4-5-10(6-8(7)2)11-9(3)15-14-12(11)13/h4-6H,1-3H3,(H2,13,14)
InChIKeyTXFNLCGDPSXHDB-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.85
Rot. Bonds1

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

4-(3,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine (PubChem CID 66201499) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine
PubChem CID66201499
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name4-(3,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine
SMILESCc1ccc(-c2c(N)noc2C)cc1C
InChIInChI=1S/C12H14N2O/c1-7-4-5-10(6-8(7)2)11-9(3)15-14-12(11)13/h4-6H,1-3H3,(H2,13,14)
InChIKeyTXFNLCGDPSXHDB-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-(3,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of 4-(3,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine (CID 66201499) is 4-(3,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine is Cc1ccc(-c2c(N)noc2C)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine?
The InChIKey is TXFNLCGDPSXHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-7-4-5-10(6-8(7)2)11-9(3)15-14-12(11)13/h4-6H,1-3H3,(H2,13,14).
What are the key properties of 4-(3,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine?
4-(3,4-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-(3,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 66201499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).