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

C15H21N3O — CID 110653712

IUPACN-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]butan-1-amine
SMILESCCCCN(C)CCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H21N3O/c1-3-4-11-18(2)12-10-14-16-17-15(19-14)13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
InChIKeyBLYDOSIAEAHXKD-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.01
Rot. Bonds7

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

N-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]butan-1-amine (PubChem CID 110653712) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]butan-1-amine
PubChem CID110653712
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]butan-1-amine
SMILESCCCCN(C)CCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H21N3O/c1-3-4-11-18(2)12-10-14-16-17-15(19-14)13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
InChIKeyBLYDOSIAEAHXKD-UHFFFAOYSA-N
XLogP3.01
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pentanamide
CID 110320370
N-butyl-N-methyl-1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoyl]piperidine-4-carboxamide
CID 55950279
N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-3-ylethanamine
CID 171907211
2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 15868581
N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 162418406
2-(4-methylphenyl)-5-nonyl-1,3,4-oxadiazole
CID 102384865
4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 23986643
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138740
1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-one
CID 148946555

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]butan-1-amine?
The IUPAC name of N-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]butan-1-amine (CID 110653712) is N-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]butan-1-amine.
What is the SMILES notation for N-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]butan-1-amine?
The canonical SMILES for N-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]butan-1-amine is CCCCN(C)CCc1nnc(-c2ccccc2)o1.
What is the InChIKey of N-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]butan-1-amine?
The InChIKey is BLYDOSIAEAHXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-4-11-18(2)12-10-14-16-17-15(19-14)13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3.
What are the key properties of N-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]butan-1-amine?
N-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]butan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]butan-1-amine is sourced from PubChem (CID 110653712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).