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

C15H21N3O — CID 103746773

IUPAC3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pentan-3-amine
SMILESCCC(C)(CC)NCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H21N3O/c1-4-15(3,5-2)16-11-13-17-18-14(19-13)12-9-7-6-8-10-12/h6-10,16H,4-5,11H2,1-3H3
InChIKeyMXYLHLHIDVDFNL-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.40
Rot. Bonds6

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

3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pentan-3-amine (PubChem CID 103746773) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pentan-3-amine
PubChem CID103746773
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pentan-3-amine
SMILESCCC(C)(CC)NCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H21N3O/c1-4-15(3,5-2)16-11-13-17-18-14(19-13)12-9-7-6-8-10-12/h6-10,16H,4-5,11H2,1-3H3
InChIKeyMXYLHLHIDVDFNL-UHFFFAOYSA-N
XLogP3.40
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-4-amine
CID 5122987
3,4-dimethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 18870590
3,3-dimethyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol
CID 106146530
2,2-dimethyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]propanamide
CID 106276224
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
2,2,3,3-tetramethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine
CID 79359225
2-bromo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 60683451
3-butoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 115571404
(2R)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol
CID 94160198
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)aniline
CID 78795471

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pentan-3-amine?
The IUPAC name of 3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pentan-3-amine (CID 103746773) is 3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pentan-3-amine.
What is the SMILES notation for 3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pentan-3-amine?
The canonical SMILES for 3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pentan-3-amine is CCC(C)(CC)NCc1nnc(-c2ccccc2)o1.
What is the InChIKey of 3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pentan-3-amine?
The InChIKey is MXYLHLHIDVDFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-15(3,5-2)16-11-13-17-18-14(19-13)12-9-7-6-8-10-12/h6-10,16H,4-5,11H2,1-3H3.
What are the key properties of 3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pentan-3-amine?
3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pentan-3-amine has a molecular weight of 259.35 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pentan-3-amine is sourced from PubChem (CID 103746773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).