N-[1-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine

C16H22N2O — CID 65181959

IUPACN-[1-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ncc(-c2cc(C)cc(C)c2)o1
InChIInChI=1S/C16H22N2O/c1-5-6-17-13(4)16-18-10-15(19-16)14-8-11(2)7-12(3)9-14/h7-10,13,17H,5-6H2,1-4H3
InChIKeyPAQMGXUMYMOJAC-UHFFFAOYSA-N
MW258.37 g/mol
LogP4.02
Rot. Bonds5

About N-[1-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine

N-[1-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (PubChem CID 65181959) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[1-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
PubChem CID65181959
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[1-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ncc(-c2cc(C)cc(C)c2)o1
InChIInChI=1S/C16H22N2O/c1-5-6-17-13(4)16-18-10-15(19-16)14-8-11(2)7-12(3)9-14/h7-10,13,17H,5-6H2,1-4H3
InChIKeyPAQMGXUMYMOJAC-UHFFFAOYSA-N
XLogP4.02
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (CID 65181959) is N-[1-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1ncc(-c2cc(C)cc(C)c2)o1.
What is the InChIKey of N-[1-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The InChIKey is PAQMGXUMYMOJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-5-6-17-13(4)16-18-10-15(19-16)14-8-11(2)7-12(3)9-14/h7-10,13,17H,5-6H2,1-4H3.
What are the key properties of N-[1-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
N-[1-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 65181959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).