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

C16H23N3O2 — CID 62137779

IUPAC2-methyl-N-[[5-[2-(3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCc1cccc(OCCc2nnc(CNC(C)(C)C)o2)c1
InChIInChI=1S/C16H23N3O2/c1-12-6-5-7-13(10-12)20-9-8-14-18-19-15(21-14)11-17-16(2,3)4/h5-7,10,17H,8-9,11H2,1-4H3
InChIKeyZPOVVGOWYMHHEN-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.89
Rot. Bonds6

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

2-methyl-N-[[5-[2-(3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (PubChem CID 62137779) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-methyl-N-[[5-[2-(3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[2-(3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
PubChem CID62137779
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-methyl-N-[[5-[2-(3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCc1cccc(OCCc2nnc(CNC(C)(C)C)o2)c1
InChIInChI=1S/C16H23N3O2/c1-12-6-5-7-13(10-12)20-9-8-14-18-19-15(21-14)11-17-16(2,3)4/h5-7,10,17H,8-9,11H2,1-4H3
InChIKeyZPOVVGOWYMHHEN-UHFFFAOYSA-N
XLogP2.89
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-methyl-N-[[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62388568
5-[(tert-butylamino)methyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106967981
2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62452374
2-methyl-N-[[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62366082
2-[5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61325696
2-methyl-N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62453419
3-bromo-5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazole
CID 112571543
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
tert-butyl-dimethyl-[2-[2-(3-methylphenoxy)ethoxy]ethoxy]silane
CID 141377156
2-iodo-5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazole
CID 63383570
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
4-[2-(3-methylphenoxy)ethyl]pyridine
CID 64765282

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-[2-(3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-[2-(3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (CID 62137779) is 2-methyl-N-[[5-[2-(3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-[2-(3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-[2-(3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is Cc1cccc(OCCc2nnc(CNC(C)(C)C)o2)c1.
What is the InChIKey of 2-methyl-N-[[5-[2-(3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The InChIKey is ZPOVVGOWYMHHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-6-5-7-13(10-12)20-9-8-14-18-19-15(21-14)11-17-16(2,3)4/h5-7,10,17H,8-9,11H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-[2-(3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-[2-(3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine has a molecular weight of 289.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-[2-(3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62137779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).