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

C13H17N3O2 — CID 60881291

IUPACN-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OCc2noc(C)n2)c1
InChIInChI=1S/C13H17N3O2/c1-3-14-8-11-5-4-6-12(7-11)17-9-13-15-10(2)18-16-13/h4-7,14H,3,8-9H2,1-2H3
InChIKeyBVTWCPLMQZCMJG-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.07
Rot. Bonds6

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

N-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine (PubChem CID 60881291) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
PubChem CID60881291
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OCc2noc(C)n2)c1
InChIInChI=1S/C13H17N3O2/c1-3-14-8-11-5-4-6-12(7-11)17-9-13-15-10(2)18-16-13/h4-7,14H,3,8-9H2,1-2H3
InChIKeyBVTWCPLMQZCMJG-UHFFFAOYSA-N
XLogP2.07
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 61495422
N-[[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
CID 61495423
methyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 52618291
N-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methyl]ethanamine
CID 66347855
N-methyl-1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 61495346
N-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 61496946
N-[[3-fluoro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 112609536
N-[[5-[(3-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62450321
2-[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid
CID 61495355
[3-(ethylaminomethyl)phenyl] hypochlorite
CID 163518139
N-[[5-[[3-(methoxymethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 63985026
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenol
CID 61497436

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine (CID 60881291) is N-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine is CCNCc1cccc(OCc2noc(C)n2)c1.
What is the InChIKey of N-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is BVTWCPLMQZCMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-14-8-11-5-4-6-12(7-11)17-9-13-15-10(2)18-16-13/h4-7,14H,3,8-9H2,1-2H3.
What are the key properties of N-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine?
N-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 247.30 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 60881291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).