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

C15H19N3O2 — CID 63363355

IUPACN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]oxan-3-amine
SMILESc1ccc(Cc2noc(CNC3CCCOC3)n2)cc1
InChIInChI=1S/C15H19N3O2/c1-2-5-12(6-3-1)9-14-17-15(20-18-14)10-16-13-7-4-8-19-11-13/h1-3,5-6,13,16H,4,7-11H2
InChIKeyVXMSDQSCLFVORU-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.93
Rot. Bonds5

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

N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]oxan-3-amine (PubChem CID 63363355) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]oxan-3-amine.

Molecular Properties

Compound NameN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]oxan-3-amine
PubChem CID63363355
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]oxan-3-amine
SMILESc1ccc(Cc2noc(CNC3CCCOC3)n2)cc1
InChIInChI=1S/C15H19N3O2/c1-2-5-12(6-3-1)9-14-17-15(20-18-14)10-16-13-7-4-8-19-11-13/h1-3,5-6,13,16H,4,7-11H2
InChIKeyVXMSDQSCLFVORU-UHFFFAOYSA-N
XLogP1.93
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 104696520
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 61039973
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide
CID 47437849
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine
CID 43663035
N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 61374743
(6S)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95346072
N-benzyloxepan-4-amine
CID 65076712
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 106813128
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylcyclopropan-1-amine
CID 113485424
3-[(oxan-3-ylamino)methyl]benzoic acid
CID 103251620
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62977426
(3R)-N-(pyrimidin-5-ylmethyl)oxan-3-amine
CID 130660711

Frequently Asked Questions

What is the IUPAC name of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]oxan-3-amine?
The IUPAC name of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]oxan-3-amine (CID 63363355) is N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]oxan-3-amine.
What is the SMILES notation for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]oxan-3-amine?
The canonical SMILES for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]oxan-3-amine is c1ccc(Cc2noc(CNC3CCCOC3)n2)cc1.
What is the InChIKey of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]oxan-3-amine?
The InChIKey is VXMSDQSCLFVORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-5-12(6-3-1)9-14-17-15(20-18-14)10-16-13-7-4-8-19-11-13/h1-3,5-6,13,16H,4,7-11H2.
What are the key properties of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]oxan-3-amine?
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]oxan-3-amine has a molecular weight of 273.34 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]oxan-3-amine is sourced from PubChem (CID 63363355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).