N-[2-[[2-hydroxy-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]amino]ethyl]-2-methylpropanamide;hydrochloride

C18H27ClN4O4 — CID 24843239

IUPACN-[2-[[2-hydroxy-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]amino]ethyl]-2-methylpropanamide;hydrochloride
SMILESCc1nc(-c2ccc(OCC(O)CNCCNC(=O)C(C)C)cc2)no1.Cl
InChIInChI=1S/C18H26N4O4.ClH/c1-12(2)18(24)20-9-8-19-10-15(23)11-25-16-6-4-14(5-7-16)17-21-13(3)26-22-17;/h4-7,12,15,19,23H,8-11H2,1-3H3,(H,20,24);1H
InChIKeyFPXMTKXQOCXFBR-UHFFFAOYSA-N
MW398.89 g/mol
LogP1.57
Rot. Bonds10

About N-[2-[[2-hydroxy-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]amino]ethyl]-2-methylpropanamide;hydrochloride

N-[2-[[2-hydroxy-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]amino]ethyl]-2-methylpropanamide;hydrochloride (PubChem CID 24843239) has the molecular formula C18H27ClN4O4 and a molecular weight of 398.89 g/mol. Its IUPAC name is N-[2-[[2-hydroxy-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]amino]ethyl]-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[[2-hydroxy-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]amino]ethyl]-2-methylpropanamide;hydrochloride
PubChem CID24843239
Molecular FormulaC18H27ClN4O4
Molecular Weight398.89 g/mol
Exact Mass398.17
IUPAC NameN-[2-[[2-hydroxy-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]amino]ethyl]-2-methylpropanamide;hydrochloride
SMILESCc1nc(-c2ccc(OCC(O)CNCCNC(=O)C(C)C)cc2)no1.Cl
InChIInChI=1S/C18H26N4O4.ClH/c1-12(2)18(24)20-9-8-19-10-15(23)11-25-16-6-4-14(5-7-16)17-21-13(3)26-22-17;/h4-7,12,15,19,23H,8-11H2,1-3H3,(H,20,24);1H
InChIKeyFPXMTKXQOCXFBR-UHFFFAOYSA-N
XLogP1.57
TPSA109.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropanamide
CID 56923225
N-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 47119130
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] acetate
CID 154709033
1-[2-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-benzofuran-5-yl]oxy]ethylamino]-3-phenoxypropan-2-ol
CID 19079737
(2S)-1-[2-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-benzofuran-5-yl]oxy]ethylamino]-3-phenoxypropan-2-ol
CID 22872406
(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol
CID 95859468
4-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]butan-2-ol
CID 64913738
3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]propanamide
CID 54938576
3-(4-butoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 168997991
N-[2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]ethyl]acetamide
CID 60632295
1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 15001242
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-3-phenoxypropyl)propanamide
CID 42959726

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-hydroxy-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]amino]ethyl]-2-methylpropanamide;hydrochloride?
The IUPAC name of N-[2-[[2-hydroxy-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]amino]ethyl]-2-methylpropanamide;hydrochloride (CID 24843239) is N-[2-[[2-hydroxy-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]amino]ethyl]-2-methylpropanamide;hydrochloride.
What is the SMILES notation for N-[2-[[2-hydroxy-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]amino]ethyl]-2-methylpropanamide;hydrochloride?
The canonical SMILES for N-[2-[[2-hydroxy-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]amino]ethyl]-2-methylpropanamide;hydrochloride is Cc1nc(-c2ccc(OCC(O)CNCCNC(=O)C(C)C)cc2)no1.Cl.
What is the InChIKey of N-[2-[[2-hydroxy-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]amino]ethyl]-2-methylpropanamide;hydrochloride?
The InChIKey is FPXMTKXQOCXFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4.ClH/c1-12(2)18(24)20-9-8-19-10-15(23)11-25-16-6-4-14(5-7-16)17-21-13(3)26-22-17;/h4-7,12,15,19,23H,8-11H2,1-3H3,(H,20,24);1H.
What are the key properties of N-[2-[[2-hydroxy-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]amino]ethyl]-2-methylpropanamide;hydrochloride?
N-[2-[[2-hydroxy-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]amino]ethyl]-2-methylpropanamide;hydrochloride has a molecular weight of 398.89 g/mol, XLogP of 1.57, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-hydroxy-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]amino]ethyl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 24843239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).