N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine

C17H17N3O — CID 43663035

IUPACN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine
SMILESc1ccc(CNCc2nc(Cc3ccccc3)no2)cc1
InChIInChI=1S/C17H17N3O/c1-3-7-14(8-4-1)11-16-19-17(21-20-16)13-18-12-15-9-5-2-6-10-15/h1-10,18H,11-13H2
InChIKeyIKFKOOOMLJXGST-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.95
Rot. Bonds6

About N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine

N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine (PubChem CID 43663035) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine
PubChem CID43663035
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine
SMILESc1ccc(CNCc2nc(Cc3ccccc3)no2)cc1
InChIInChI=1S/C17H17N3O/c1-3-7-14(8-4-1)11-16-19-17(21-20-16)13-18-12-15-9-5-2-6-10-15/h1-10,18H,11-13H2
InChIKeyIKFKOOOMLJXGST-UHFFFAOYSA-N
XLogP2.95
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104760594
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbut-2-en-1-amine
CID 106547122
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 106813128
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide
CID 43663077
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 115359974
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)methanamine
CID 62118457
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(furan-2-yl)ethanamine
CID 61024158
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpentan-3-amine
CID 103746603
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutan-2-amine
CID 43663072
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(2-methoxyphenyl)phenyl]methanamine
CID 16672060
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylcyclopropan-1-amine
CID 113485424
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62977426

Frequently Asked Questions

What is the IUPAC name of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine (CID 43663035) is N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine is c1ccc(CNCc2nc(Cc3ccccc3)no2)cc1.
What is the InChIKey of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine?
The InChIKey is IKFKOOOMLJXGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-3-7-14(8-4-1)11-16-19-17(21-20-16)13-18-12-15-9-5-2-6-10-15/h1-10,18H,11-13H2.
What are the key properties of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine?
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine has a molecular weight of 279.34 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 43663035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).