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

C15H19N3O3 — CID 91794306

IUPACN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenoxybutanamide
SMILESCCc1nc(CNC(=O)CCCOc2ccccc2)no1
InChIInChI=1S/C15H19N3O3/c1-2-15-17-13(18-21-15)11-16-14(19)9-6-10-20-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,16,19)
InChIKeyCULRVCHUSGXNDK-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.11
Rot. Bonds8

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

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenoxybutanamide (PubChem CID 91794306) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenoxybutanamide
PubChem CID91794306
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenoxybutanamide
SMILESCCc1nc(CNC(=O)CCCOc2ccccc2)no1
InChIInChI=1S/C15H19N3O3/c1-2-15-17-13(18-21-15)11-16-14(19)9-6-10-20-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,16,19)
InChIKeyCULRVCHUSGXNDK-UHFFFAOYSA-N
XLogP2.11
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenoxybutanamide
CID 110293525
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
(2R)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylbutanamide
CID 95062352
(2S)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 92903063
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenoxybutanamide
CID 50874670
4-butoxy-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 5041101
N-[2-(methylamino)propyl]-4-phenoxybutanamide
CID 120827212
N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide
CID 83030039
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]propanamide
CID 87026592
N-(2-aminopropyl)-4-phenoxybutanamide
CID 82354182
2-methyl-3-(4-phenoxybutanoylamino)propanoic acid
CID 62676928

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenoxybutanamide?
The IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenoxybutanamide (CID 91794306) is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenoxybutanamide?
The canonical SMILES for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenoxybutanamide is CCc1nc(CNC(=O)CCCOc2ccccc2)no1.
What is the InChIKey of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenoxybutanamide?
The InChIKey is CULRVCHUSGXNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-2-15-17-13(18-21-15)11-16-14(19)9-6-10-20-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,16,19).
What are the key properties of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenoxybutanamide?
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenoxybutanamide has a molecular weight of 289.33 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenoxybutanamide is sourced from PubChem (CID 91794306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).