2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine

C16H23N3O — CID 62817984

IUPAC2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
SMILESCCNC(C)(C)c1nc(Cc2cc(C)cc(C)c2)no1
InChIInChI=1S/C16H23N3O/c1-6-17-16(4,5)15-18-14(19-20-15)10-13-8-11(2)7-12(3)9-13/h7-9,17H,6,10H2,1-5H3
InChIKeyKNJLXHIFMXQRKS-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.12
Rot. Bonds5

About 2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine

2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine (PubChem CID 62817984) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine.

Molecular Properties

Compound Name2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
PubChem CID62817984
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
SMILESCCNC(C)(C)c1nc(Cc2cc(C)cc(C)c2)no1
InChIInChI=1S/C16H23N3O/c1-6-17-16(4,5)15-18-14(19-20-15)10-13-8-11(2)7-12(3)9-13/h7-9,17H,6,10H2,1-5H3
InChIKeyKNJLXHIFMXQRKS-UHFFFAOYSA-N
XLogP3.12
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine?
The IUPAC name of 2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine (CID 62817984) is 2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine.
What is the SMILES notation for 2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine?
The canonical SMILES for 2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine is CCNC(C)(C)c1nc(Cc2cc(C)cc(C)c2)no1.
What is the InChIKey of 2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine?
The InChIKey is KNJLXHIFMXQRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-6-17-16(4,5)15-18-14(19-20-15)10-13-8-11(2)7-12(3)9-13/h7-9,17H,6,10H2,1-5H3.
What are the key properties of 2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine?
2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine is sourced from PubChem (CID 62817984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).