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

C12H16N2O — CID 142449772

IUPACN-(3,4-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-2-amine
SMILESCc1ccc(NC2=NCC(C)O2)cc1C
InChIInChI=1S/C12H16N2O/c1-8-4-5-11(6-9(8)2)14-12-13-7-10(3)15-12/h4-6,10H,7H2,1-3H3,(H,13,14)
InChIKeyLHRHCCXMDGMIMH-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.49
Rot. Bonds1

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

N-(3,4-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 142449772) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID142449772
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-(3,4-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-2-amine
SMILESCc1ccc(NC2=NCC(C)O2)cc1C
InChIInChI=1S/C12H16N2O/c1-8-4-5-11(6-9(8)2)14-12-13-7-10(3)15-12/h4-6,10H,7H2,1-3H3,(H,13,14)
InChIKeyLHRHCCXMDGMIMH-UHFFFAOYSA-N
XLogP2.49
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-2-amine (CID 142449772) is N-(3,4-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-2-amine is Cc1ccc(NC2=NCC(C)O2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is LHRHCCXMDGMIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-4-5-11(6-9(8)2)14-12-13-7-10(3)15-12/h4-6,10H,7H2,1-3H3,(H,13,14).
What are the key properties of N-(3,4-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-2-amine?
N-(3,4-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 204.27 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 142449772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).