4-[3-[1-[5-[[ethyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide

About 4-[3-[1-[5-[[ethyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide

4-[3-[1-[5-[[ethyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide (PubChem CID 58354902) has the molecular formula C25H39N5O4 and a molecular weight of 473.62 g/mol. Its IUPAC name is 4-[3-[1-[5-[[ethyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound Name	4-[3-[1-[5-[[ethyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide
PubChem CID	58354902
Molecular Formula	C25H39N5O4
Molecular Weight	473.62 g/mol
Exact Mass	473.30
IUPAC Name	4-[3-[1-[5-[[ethyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide
SMILES	CCN(C)Cc1nc(N2CCC(CCCOc3ccc(C(=O)N[C@H](C)CO)c(C)c3)CC2)no1
InChI	InChI=1S/C25H39N5O4/c1-5-29(4)16-23-27-25(28-34-23)30-12-10-20(11-13-30)7-6-14-33-21-8-9-22(18(2)15-21)24(32)26-19(3)17-31/h8-9,15,19-20,31H,5-7,10-14,16-17H2,1-4H3,(H,26,32)/t19-/m1/s1
InChIKey	ZTVYXGTWBSHTQP-LJQANCHMSA-N
XLogP	3.02
TPSA	103.96 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	12
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.62
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-[5-[[ethyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide?

The IUPAC name of 4-[3-[1-[5-[[ethyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide (CID 58354902) is 4-[3-[1-[5-[[ethyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide.

What is the SMILES notation for 4-[3-[1-[5-[[ethyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide?

The canonical SMILES for 4-[3-[1-[5-[[ethyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide is CCN(C)Cc1nc(N2CCC(CCCOc3ccc(C(=O)N[C@H](C)CO)c(C)c3)CC2)no1.

What is the InChIKey of 4-[3-[1-[5-[[ethyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide?

The InChIKey is ZTVYXGTWBSHTQP-LJQANCHMSA-N. The full InChI is InChI=1S/C25H39N5O4/c1-5-29(4)16-23-27-25(28-34-23)30-12-10-20(11-13-30)7-6-14-33-21-8-9-22(18(2)15-21)24(32)26-19(3)17-31/h8-9,15,19-20,31H,5-7,10-14,16-17H2,1-4H3,(H,26,32)/t19-/m1/s1.

What are the key properties of 4-[3-[1-[5-[[ethyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide?

4-[3-[1-[5-[[ethyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide has a molecular weight of 473.62 g/mol, XLogP of 3.02, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[1-[5-[[ethyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 58354902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).