N-(4-methyl-1,2,5-oxadiazol-3-yl)-4-pentoxybenzamide

C15H19N3O3 — CID 17012565

IUPACN-(4-methyl-1,2,5-oxadiazol-3-yl)-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2nonc2C)cc1
InChIInChI=1S/C15H19N3O3/c1-3-4-5-10-20-13-8-6-12(7-9-13)15(19)16-14-11(2)17-21-18-14/h6-9H,3-5,10H2,1-2H3,(H,16,18,19)
InChIKeyWYXBELHSBAONGZ-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.20
Rot. Bonds7

About N-(4-methyl-1,2,5-oxadiazol-3-yl)-4-pentoxybenzamide

N-(4-methyl-1,2,5-oxadiazol-3-yl)-4-pentoxybenzamide (PubChem CID 17012565) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(4-methyl-1,2,5-oxadiazol-3-yl)-4-pentoxybenzamide.

Molecular Properties

Compound NameN-(4-methyl-1,2,5-oxadiazol-3-yl)-4-pentoxybenzamide
PubChem CID17012565
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-(4-methyl-1,2,5-oxadiazol-3-yl)-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2nonc2C)cc1
InChIInChI=1S/C15H19N3O3/c1-3-4-5-10-20-13-8-6-12(7-9-13)15(19)16-14-11(2)17-21-18-14/h6-9H,3-5,10H2,1-2H3,(H,16,18,19)
InChIKeyWYXBELHSBAONGZ-UHFFFAOYSA-N
XLogP3.20
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.20
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

4-butoxy-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide
CID 19244712
4-pentoxybenzohydrazide
CID 2727702
4-pentoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 4935004
4-butoxy-N-(1,2-oxazol-3-yl)benzamide
CID 25236391
4-heptoxy-N-methylbenzamide
CID 3291691
ethyl 2-[(4-pentoxybenzoyl)amino]acetate
CID 4935106
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
N-(4-iodophenyl)-4-pentoxybenzamide
CID 4935000
N-(2,5-dimethylphenyl)-4-pentoxybenzamide
CID 4935012
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340246
N-(3,5-dihydroxyphenyl)-4-dodecoxybenzamide
CID 91741143

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,2,5-oxadiazol-3-yl)-4-pentoxybenzamide?
The IUPAC name of N-(4-methyl-1,2,5-oxadiazol-3-yl)-4-pentoxybenzamide (CID 17012565) is N-(4-methyl-1,2,5-oxadiazol-3-yl)-4-pentoxybenzamide.
What is the SMILES notation for N-(4-methyl-1,2,5-oxadiazol-3-yl)-4-pentoxybenzamide?
The canonical SMILES for N-(4-methyl-1,2,5-oxadiazol-3-yl)-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)Nc2nonc2C)cc1.
What is the InChIKey of N-(4-methyl-1,2,5-oxadiazol-3-yl)-4-pentoxybenzamide?
The InChIKey is WYXBELHSBAONGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-4-5-10-20-13-8-6-12(7-9-13)15(19)16-14-11(2)17-21-18-14/h6-9H,3-5,10H2,1-2H3,(H,16,18,19).
What are the key properties of N-(4-methyl-1,2,5-oxadiazol-3-yl)-4-pentoxybenzamide?
N-(4-methyl-1,2,5-oxadiazol-3-yl)-4-pentoxybenzamide has a molecular weight of 289.34 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,2,5-oxadiazol-3-yl)-4-pentoxybenzamide is sourced from PubChem (CID 17012565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).