N-[3-(2-hydroxyethoxy)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide

C11H19N3O4 — CID 113364770

IUPACN-[3-(2-hydroxyethoxy)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1noc(CCC(=O)NCCCOCCO)n1
InChIInChI=1S/C11H19N3O4/c1-9-13-11(18-14-9)4-3-10(16)12-5-2-7-17-8-6-15/h15H,2-8H2,1H3,(H,12,16)
InChIKeyNJOKNQFFXPCGLC-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.17
Rot. Bonds9

About N-[3-(2-hydroxyethoxy)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide

N-[3-(2-hydroxyethoxy)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 113364770) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[3-(2-hydroxyethoxy)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[3-(2-hydroxyethoxy)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID113364770
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC NameN-[3-(2-hydroxyethoxy)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1noc(CCC(=O)NCCCOCCO)n1
InChIInChI=1S/C11H19N3O4/c1-9-13-11(18-14-9)4-3-10(16)12-5-2-7-17-8-6-15/h15H,2-8H2,1H3,(H,12,16)
InChIKeyNJOKNQFFXPCGLC-UHFFFAOYSA-N
XLogP-0.17
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103796132
3-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106415377
3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106416348
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 114751674
N-(2-ethylbutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 113232050
4-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]ethyl]benzoic acid
CID 119168608
N-(4-hydroxy-2-methylbutan-2-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 115869991
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-ethoxypropyl)propanamide
CID 100759815
N-(3-ethoxypropyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 94882682
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 115362208
3-hydroxy-3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
CID 66002123
N-[3-(N-methylanilino)propyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 86990282

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxyethoxy)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[3-(2-hydroxyethoxy)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (CID 113364770) is N-[3-(2-hydroxyethoxy)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[3-(2-hydroxyethoxy)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[3-(2-hydroxyethoxy)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is Cc1noc(CCC(=O)NCCCOCCO)n1.
What is the InChIKey of N-[3-(2-hydroxyethoxy)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is NJOKNQFFXPCGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-9-13-11(18-14-9)4-3-10(16)12-5-2-7-17-8-6-15/h15H,2-8H2,1H3,(H,12,16).
What are the key properties of N-[3-(2-hydroxyethoxy)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
N-[3-(2-hydroxyethoxy)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 257.29 g/mol, XLogP of -0.17, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxyethoxy)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 113364770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).