N-[1-(2,3-dimethylphenyl)-3-methylidenepentyl]-4,5-dihydro-1,3-oxazol-2-amine

C17H24N2O — CID 44633344

IUPACN-[1-(2,3-dimethylphenyl)-3-methylidenepentyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESC=C(CC)CC(NC1=NCCO1)c1cccc(C)c1C
InChIInChI=1S/C17H24N2O/c1-5-12(2)11-16(19-17-18-9-10-20-17)15-8-6-7-13(3)14(15)4/h6-8,16H,2,5,9-11H2,1,3-4H3,(H,18,19)
InChIKeyHBHKPYNBCATMCT-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.68
Rot. Bonds5

About N-[1-(2,3-dimethylphenyl)-3-methylidenepentyl]-4,5-dihydro-1,3-oxazol-2-amine

N-[1-(2,3-dimethylphenyl)-3-methylidenepentyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 44633344) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[1-(2,3-dimethylphenyl)-3-methylidenepentyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-[1-(2,3-dimethylphenyl)-3-methylidenepentyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID44633344
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[1-(2,3-dimethylphenyl)-3-methylidenepentyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESC=C(CC)CC(NC1=NCCO1)c1cccc(C)c1C
InChIInChI=1S/C17H24N2O/c1-5-12(2)11-16(19-17-18-9-10-20-17)15-8-6-7-13(3)14(15)4/h6-8,16H,2,5,9-11H2,1,3-4H3,(H,18,19)
InChIKeyHBHKPYNBCATMCT-UHFFFAOYSA-N
XLogP3.68
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dimethylphenyl)-3-methylidenepentyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of N-[1-(2,3-dimethylphenyl)-3-methylidenepentyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 44633344) is N-[1-(2,3-dimethylphenyl)-3-methylidenepentyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for N-[1-(2,3-dimethylphenyl)-3-methylidenepentyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for N-[1-(2,3-dimethylphenyl)-3-methylidenepentyl]-4,5-dihydro-1,3-oxazol-2-amine is C=C(CC)CC(NC1=NCCO1)c1cccc(C)c1C.
What is the InChIKey of N-[1-(2,3-dimethylphenyl)-3-methylidenepentyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is HBHKPYNBCATMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-5-12(2)11-16(19-17-18-9-10-20-17)15-8-6-7-13(3)14(15)4/h6-8,16H,2,5,9-11H2,1,3-4H3,(H,18,19).
What are the key properties of N-[1-(2,3-dimethylphenyl)-3-methylidenepentyl]-4,5-dihydro-1,3-oxazol-2-amine?
N-[1-(2,3-dimethylphenyl)-3-methylidenepentyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 272.39 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dimethylphenyl)-3-methylidenepentyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 44633344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).