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

C15H21N3O — CID 106394842

IUPAC3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-phenylbutan-1-amine
SMILESCC(C)CC(NCCc1ncno1)c1ccccc1
InChIInChI=1S/C15H21N3O/c1-12(2)10-14(13-6-4-3-5-7-13)16-9-8-15-17-11-18-19-15/h3-7,11-12,14,16H,8-10H2,1-2H3
InChIKeyTURQFPDGNPGPTN-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.99
Rot. Bonds7

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

3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-phenylbutan-1-amine (PubChem CID 106394842) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-phenylbutan-1-amine
PubChem CID106394842
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-phenylbutan-1-amine
SMILESCC(C)CC(NCCc1ncno1)c1ccccc1
InChIInChI=1S/C15H21N3O/c1-12(2)10-14(13-6-4-3-5-7-13)16-9-8-15-17-11-18-19-15/h3-7,11-12,14,16H,8-10H2,1-2H3
InChIKeyTURQFPDGNPGPTN-UHFFFAOYSA-N
XLogP2.99
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butan-1-amine
CID 64548527
3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]phenol
CID 114183269
1-(2,6-difluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106394173
3-methyl-1-phenyl-N-(2-pyridin-3-ylethyl)butan-1-amine
CID 60896076
3-methyl-N-(2-methylsulfanylethyl)-1-phenylbutan-1-amine
CID 60697526
3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-phenylbutan-1-amine
CID 63238783
3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylbutan-1-amine
CID 103729425
1-(2,3-dichlorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 114183185
2-[(3-methyl-1-phenylbutyl)amino]acetic acid
CID 43135143
3-methyl-N-(2-methylsulfonylethyl)-1-phenylbutan-1-amine
CID 60714061
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-1-phenylbutan-1-amine
CID 103912804
2,6-dimethyl-N-(3-methyl-1-phenylbutyl)heptan-4-amine
CID 63438592

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-phenylbutan-1-amine?
The IUPAC name of 3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-phenylbutan-1-amine (CID 106394842) is 3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-phenylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-phenylbutan-1-amine?
The canonical SMILES for 3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-phenylbutan-1-amine is CC(C)CC(NCCc1ncno1)c1ccccc1.
What is the InChIKey of 3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-phenylbutan-1-amine?
The InChIKey is TURQFPDGNPGPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12(2)10-14(13-6-4-3-5-7-13)16-9-8-15-17-11-18-19-15/h3-7,11-12,14,16H,8-10H2,1-2H3.
What are the key properties of 3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-phenylbutan-1-amine?
3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-phenylbutan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 106394842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).