N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropan-1-amine

C13H17N3O2 — CID 114184065

IUPACN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropan-1-amine
SMILESc1ccc(OCCCNCCc2ncon2)cc1
InChIInChI=1S/C13H17N3O2/c1-2-5-12(6-3-1)17-10-4-8-14-9-7-13-15-11-18-16-13/h1-3,5-6,11,14H,4,7-10H2
InChIKeyLUDFYKPOOBLSEC-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.67
Rot. Bonds8

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

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropan-1-amine (PubChem CID 114184065) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropan-1-amine
PubChem CID114184065
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropan-1-amine
SMILESc1ccc(OCCCNCCc2ncon2)cc1
InChIInChI=1S/C13H17N3O2/c1-2-5-12(6-3-1)17-10-4-8-14-9-7-13-15-11-18-16-13/h1-3,5-6,11,14H,4,7-10H2
InChIKeyLUDFYKPOOBLSEC-UHFFFAOYSA-N
XLogP1.67
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396500
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]dodecan-1-amine
CID 106400725
N-(2-ethoxyethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106401056
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395589
N-[[4-(3-methylbutoxy)phenyl]methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396362
3-ethylsulfanyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106396818
N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropanamide
CID 77098040
4-bromo-N-(2-phenoxyethyl)butan-1-amine
CID 106844867
methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-phenylpropanoate
CID 106401183
N-(furan-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396669
N-benzyl-3-phenoxypropan-1-amine
CID 13291924

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropan-1-amine?
The IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropan-1-amine (CID 114184065) is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropan-1-amine.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropan-1-amine?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropan-1-amine is c1ccc(OCCCNCCc2ncon2)cc1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropan-1-amine?
The InChIKey is LUDFYKPOOBLSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-5-12(6-3-1)17-10-4-8-14-9-7-13-15-11-18-16-13/h1-3,5-6,11,14H,4,7-10H2.
What are the key properties of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropan-1-amine?
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropan-1-amine has a molecular weight of 247.30 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropan-1-amine is sourced from PubChem (CID 114184065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).