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

C17H23N3O3 — CID 5041101

IUPAC4-butoxy-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCc2noc(CCC)n2)cc1
InChIInChI=1S/C17H23N3O3/c1-3-5-11-22-14-9-7-13(8-10-14)17(21)18-12-15-19-16(6-4-2)23-20-15/h7-10H,3-6,11-12H2,1-2H3,(H,18,21)
InChIKeyINEPGJIHRYXEHC-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.13
Rot. Bonds9

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

4-butoxy-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzamide (PubChem CID 5041101) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-butoxy-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
PubChem CID5041101
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name4-butoxy-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCc2noc(CCC)n2)cc1
InChIInChI=1S/C17H23N3O3/c1-3-5-11-22-14-9-7-13(8-10-14)17(21)18-12-15-19-16(6-4-2)23-20-15/h7-10H,3-6,11-12H2,1-2H3,(H,18,21)
InChIKeyINEPGJIHRYXEHC-UHFFFAOYSA-N
XLogP3.13
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.13
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

methyl 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]benzoate
CID 60724693
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenoxybutanamide
CID 91794306
N-[[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495179
N-butyl-4-propoxybenzamide
CID 17142951
4-butoxy-N-hexadecylbenzamide
CID 4936106
N-ethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 47137708
5-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]pentanoic acid
CID 119234883
4-ethoxy-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 53003527
N-(2-aminoethyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride
CID 119383309
4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 7997659
4-butoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56557994
4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136982

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The IUPAC name of 4-butoxy-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzamide (CID 5041101) is 4-butoxy-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The canonical SMILES for 4-butoxy-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzamide is CCCCOc1ccc(C(=O)NCc2noc(CCC)n2)cc1.
What is the InChIKey of 4-butoxy-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The InChIKey is INEPGJIHRYXEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-5-11-22-14-9-7-13(8-10-14)17(21)18-12-15-19-16(6-4-2)23-20-15/h7-10H,3-6,11-12H2,1-2H3,(H,18,21).
What are the key properties of 4-butoxy-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
4-butoxy-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzamide has a molecular weight of 317.39 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzamide is sourced from PubChem (CID 5041101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).