1-(2,5-dimethylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine

C13H17N3O — CID 106393492

IUPAC1-(2,5-dimethylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
SMILESCc1ccc(C)c(C(C)NCc2ncon2)c1
InChIInChI=1S/C13H17N3O/c1-9-4-5-10(2)12(6-9)11(3)14-7-13-15-8-17-16-13/h4-6,8,11,14H,7H2,1-3H3
InChIKeyUFBSSKSXMGKLRL-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.54
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine

1-(2,5-dimethylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine (PubChem CID 106393492) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
PubChem CID106393492
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(2,5-dimethylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
SMILESCc1ccc(C)c(C(C)NCc2ncon2)c1
InChIInChI=1S/C13H17N3O/c1-9-4-5-10(2)12(6-9)11(3)14-7-13-15-8-17-16-13/h4-6,8,11,14H,7H2,1-3H3
InChIKeyUFBSSKSXMGKLRL-UHFFFAOYSA-N
XLogP2.54
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 60887882
4-fluoro-2-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]phenol
CID 114183050
1-(2,5-dichlorothiophen-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393008
1-(2-ethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106392807
1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106392519
1-(2,5-dimethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54913361
1-(2,6-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 114182910
1-(2-nitrophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393683
1-(2,5-dimethylphenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 43221696
N-[(2,5-dimethylphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 114183364
N-methyl-1-[4-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 63639606
1-(2,5-difluoro-4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106396288

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine (CID 106393492) is 1-(2,5-dimethylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine is Cc1ccc(C)c(C(C)NCc2ncon2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
The InChIKey is UFBSSKSXMGKLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-4-5-10(2)12(6-9)11(3)14-7-13-15-8-17-16-13/h4-6,8,11,14H,7H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
1-(2,5-dimethylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine has a molecular weight of 231.30 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine is sourced from PubChem (CID 106393492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).