N-methyl-1-[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine

C14H19N3O — CID 62366775

IUPACN-methyl-1-[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCNC(C)c1nnc(CCc2ccccc2C)o1
InChIInChI=1S/C14H19N3O/c1-10-6-4-5-7-12(10)8-9-13-16-17-14(18-13)11(2)15-3/h4-7,11,15H,8-9H2,1-3H3
InChIKeySWUXLFKDJYLFFN-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.44
Rot. Bonds5

About N-methyl-1-[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine

N-methyl-1-[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 62366775) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-methyl-1-[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID62366775
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-methyl-1-[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCNC(C)c1nnc(CCc2ccccc2C)o1
InChIInChI=1S/C14H19N3O/c1-10-6-4-5-7-12(10)8-9-13-16-17-14(18-13)11(2)15-3/h4-7,11,15H,8-9H2,1-3H3
InChIKeySWUXLFKDJYLFFN-UHFFFAOYSA-N
XLogP2.44
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164268
2-methyl-N-[[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62366082
1-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 114026384
N-ethyl-1-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 55124679
1-(2-methylphenyl)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 9186133
2-methyl-N-[2-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62164351
N-[(2-bromophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970746
N-[2-(2-fluorophenyl)ethyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966743
1-[5-(2-cyclopentylethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164606
N-[(2-methoxyphenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970855
5-[2-(2-methylphenyl)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 142315863
N-methyl-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine
CID 83124395

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-methyl-1-[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine (CID 62366775) is N-methyl-1-[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-methyl-1-[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine is CNC(C)c1nnc(CCc2ccccc2C)o1.
What is the InChIKey of N-methyl-1-[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is SWUXLFKDJYLFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-6-4-5-7-12(10)8-9-13-16-17-14(18-13)11(2)15-3/h4-7,11,15H,8-9H2,1-3H3.
What are the key properties of N-methyl-1-[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine?
N-methyl-1-[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 62366775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).