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

C15H21N3O — CID 67601426

IUPAC3-methyl-4-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butan-2-amine
SMILESCc1cccc(Cc2nnc(CC(C)C(C)N)o2)c1
InChIInChI=1S/C15H21N3O/c1-10-5-4-6-13(7-10)9-15-18-17-14(19-15)8-11(2)12(3)16/h4-7,11-12H,8-9,16H2,1-3H3
InChIKeyFRNKOAJUCHVBOX-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.49
Rot. Bonds5

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

3-methyl-4-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butan-2-amine (PubChem CID 67601426) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-methyl-4-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butan-2-amine.

Molecular Properties

Compound Name3-methyl-4-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butan-2-amine
PubChem CID67601426
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-methyl-4-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butan-2-amine
SMILESCc1cccc(Cc2nnc(CC(C)C(C)N)o2)c1
InChIInChI=1S/C15H21N3O/c1-10-5-4-6-13(7-10)9-15-18-17-14(19-15)8-11(2)12(3)16/h4-7,11-12H,8-9,16H2,1-3H3
InChIKeyFRNKOAJUCHVBOX-UHFFFAOYSA-N
XLogP2.49
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62388568
(2S)-2-amino-3-methyl-3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butan-1-ol
CID 67600608
2-(1-bromopropyl)-5-[(3-methylphenyl)methyl]-1,3,4-oxadiazole
CID 62856536
1-[2-[(3-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-2-amine
CID 115083806
acetylene;2-[(E)-2-(4-fluorophenyl)ethenyl]-5-[(3-methylphenyl)methyl]-1,3,4-oxadiazole
CID 142315985
3-methyl-1-(3-methylphenyl)pentan-2-amine
CID 62388327
2-(2-chloroethyl)-5-[2-(3-methylphenyl)ethyl]-1,3,4-oxadiazole
CID 62365336
1-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634676
4-methyl-1-(3-methylphenyl)pentan-2-amine
CID 59323309
[1,1,1-trifluoro-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105215650
3-methyl-4-(3-methylphenyl)butan-2-ol
CID 22157927
N-[[5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 55083744

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butan-2-amine?
The IUPAC name of 3-methyl-4-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butan-2-amine (CID 67601426) is 3-methyl-4-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butan-2-amine.
What is the SMILES notation for 3-methyl-4-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butan-2-amine?
The canonical SMILES for 3-methyl-4-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butan-2-amine is Cc1cccc(Cc2nnc(CC(C)C(C)N)o2)c1.
What is the InChIKey of 3-methyl-4-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butan-2-amine?
The InChIKey is FRNKOAJUCHVBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-5-4-6-13(7-10)9-15-18-17-14(19-15)8-11(2)12(3)16/h4-7,11-12H,8-9,16H2,1-3H3.
What are the key properties of 3-methyl-4-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butan-2-amine?
3-methyl-4-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butan-2-amine is sourced from PubChem (CID 67601426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).