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

C14H19N3O — CID 119138999

IUPACN-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
SMILESCC(C)NC(C)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C14H19N3O/c1-10(2)15-11(3)14-16-13(17-18-14)9-12-7-5-4-6-8-12/h4-8,10-11,15H,9H2,1-3H3
InChIKeyYPMJRBXAFWJMCS-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.72
Rot. Bonds5

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

N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine (PubChem CID 119138999) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
PubChem CID119138999
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
SMILESCC(C)NC(C)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C14H19N3O/c1-10(2)15-11(3)14-16-13(17-18-14)9-12-7-5-4-6-8-12/h4-8,10-11,15H,9H2,1-3H3
InChIKeyYPMJRBXAFWJMCS-UHFFFAOYSA-N
XLogP2.72
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-phenylbutan-1-amine
CID 119139089
N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-bromoprop-2-en-1-amine
CID 122141386
N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methoxyhexan-2-amine
CID 119139102
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine
CID 63347609
2-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
CID 55221452
N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylcyclohexan-1-amine
CID 119139010
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 119139047
2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylpropanamide
CID 119344366
N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpiperidin-4-amine
CID 119138278
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol
CID 63744232
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-2-methylbutanoic acid
CID 103500383
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(2,4-dimethylphenyl)methyl]ethanamine
CID 119139052

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The IUPAC name of N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine (CID 119138999) is N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine is CC(C)NC(C)c1nc(Cc2ccccc2)no1.
What is the InChIKey of N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The InChIKey is YPMJRBXAFWJMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)15-11(3)14-16-13(17-18-14)9-12-7-5-4-6-8-12/h4-8,10-11,15H,9H2,1-3H3.
What are the key properties of N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 119138999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).