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

C16H23N3O — CID 62366082

IUPAC2-methyl-N-[[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCc1ccccc1CCc1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C16H23N3O/c1-12-7-5-6-8-13(12)9-10-14-18-19-15(20-14)11-17-16(2,3)4/h5-8,17H,9-11H2,1-4H3
InChIKeyUTESUNCRXDOSHX-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.05
Rot. Bonds5

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

2-methyl-N-[[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (PubChem CID 62366082) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-methyl-N-[[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
PubChem CID62366082
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-methyl-N-[[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCc1ccccc1CCc1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C16H23N3O/c1-12-7-5-6-8-13(12)9-10-14-18-19-15(20-14)11-17-16(2,3)4/h5-8,17H,9-11H2,1-4H3
InChIKeyUTESUNCRXDOSHX-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

5-[(tert-butylamino)methyl]-N-methyl-N-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106959317
2-methyl-N-[2-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62164351
N-methyl-1-[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 62366775
2-methyl-N-[[5-[2-(3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62137779
5-[(tert-butylamino)methyl]-N-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106968170
N-[(2-bromophenyl)methyl]-5-[(tert-butylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106970749
5-[2-(2-methylphenyl)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 142315863
2-methyl-N-[[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62388568
N-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62138711
5-[(tert-butylamino)methyl]-N-(2-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106970975
N-[(2-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 113237093
N-[(2,3-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 60760457

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (CID 62366082) is 2-methyl-N-[[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is Cc1ccccc1CCc1nnc(CNC(C)(C)C)o1.
What is the InChIKey of 2-methyl-N-[[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The InChIKey is UTESUNCRXDOSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-7-5-6-8-13(12)9-10-14-18-19-15(20-14)11-17-16(2,3)4/h5-8,17H,9-11H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62366082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).