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

C14H19N3O2 — CID 61325696

IUPAC2-[5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCc1cccc(OCCc2nc(C(C)(C)N)no2)c1
InChIInChI=1S/C14H19N3O2/c1-10-5-4-6-11(9-10)18-8-7-12-16-13(17-19-12)14(2,3)15/h4-6,9H,7-8,15H2,1-3H3
InChIKeyHSCRNGYHFLROTP-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.19
Rot. Bonds5

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

2-[5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 61325696) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID61325696
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCc1cccc(OCCc2nc(C(C)(C)N)no2)c1
InChIInChI=1S/C14H19N3O2/c1-10-5-4-6-11(9-10)18-8-7-12-16-13(17-19-12)14(2,3)15/h4-6,9H,7-8,15H2,1-3H3
InChIKeyHSCRNGYHFLROTP-UHFFFAOYSA-N
XLogP2.19
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazole
CID 112571543
5-[2-(3-methylphenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957592
2-methyl-N-[[5-[2-(3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62137779
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride
CID 47002453
2-methyl-4-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 62049822
3-[4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butoxy]benzonitrile
CID 146127800
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
2-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61325485
2-[5-[(4-bromo-3-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 65203605
6-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridine
CID 79795712
4-[2-(3-methylphenoxy)ethyl]pyridine
CID 64765282

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 2-[5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 61325696) is 2-[5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 2-[5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 2-[5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine is Cc1cccc(OCCc2nc(C(C)(C)N)no2)c1.
What is the InChIKey of 2-[5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is HSCRNGYHFLROTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-5-4-6-11(9-10)18-8-7-12-16-13(17-19-12)14(2,3)15/h4-6,9H,7-8,15H2,1-3H3.
What are the key properties of 2-[5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
2-[5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 261.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 61325696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).