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

C16H23N3O — CID 62164351

IUPAC2-methyl-N-[2-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
SMILESCc1ccccc1Cc1nnc(CCNC(C)(C)C)o1
InChIInChI=1S/C16H23N3O/c1-12-7-5-6-8-13(12)11-15-19-18-14(20-15)9-10-17-16(2,3)4/h5-8,17H,9-11H2,1-4H3
InChIKeyGTFVEZFHOUMLBA-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.90
Rot. Bonds5

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

2-methyl-N-[2-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine (PubChem CID 62164351) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-methyl-N-[2-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
PubChem CID62164351
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-methyl-N-[2-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
SMILESCc1ccccc1Cc1nnc(CCNC(C)(C)C)o1
InChIInChI=1S/C16H23N3O/c1-12-7-5-6-8-13(12)11-15-19-18-14(20-15)9-10-17-16(2,3)4/h5-8,17H,9-11H2,1-4H3
InChIKeyGTFVEZFHOUMLBA-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62366082
N-[3-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 62139311
2-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine
CID 62163830
N-ethyl-2-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 62162910
2-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine
CID 55043837
N-ethyl-2-[5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 62162382
N-methyl-1-[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 62366775
N-[2-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 55044253
5-[(tert-butylamino)methyl]-N-methyl-N-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106959317
2-methyl-N-[3-[5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine
CID 62340684
2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine
CID 62162598
N-ethyl-1-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 55124679

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine (CID 62164351) is 2-methyl-N-[2-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine is Cc1ccccc1Cc1nnc(CCNC(C)(C)C)o1.
What is the InChIKey of 2-methyl-N-[2-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The InChIKey is GTFVEZFHOUMLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-7-5-6-8-13(12)11-15-19-18-14(20-15)9-10-17-16(2,3)4/h5-8,17H,9-11H2,1-4H3.
What are the key properties of 2-methyl-N-[2-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
2-methyl-N-[2-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 62164351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).