N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide

C24H29N3O5 — CID 43975905

IUPACN-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide
SMILESCCCCCOc1cccc(C(=O)Nc2nnc(-c3ccc(OCC)c(OCC)c3)o2)c1
InChIInChI=1S/C24H29N3O5/c1-4-7-8-14-31-19-11-9-10-17(15-19)22(28)25-24-27-26-23(32-24)18-12-13-20(29-5-2)21(16-18)30-6-3/h9-13,15-16H,4-8,14H2,1-3H3,(H,25,27,28)
InChIKeyMPZCSEXISFIAGM-UHFFFAOYSA-N
MW439.51 g/mol
LogP5.36
Rot. Bonds12

About N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide

N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide (PubChem CID 43975905) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide.

Molecular Properties

Compound NameN-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide
PubChem CID43975905
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC NameN-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide
SMILESCCCCCOc1cccc(C(=O)Nc2nnc(-c3ccc(OCC)c(OCC)c3)o2)c1
InChIInChI=1S/C24H29N3O5/c1-4-7-8-14-31-19-11-9-10-17(15-19)22(28)25-24-27-26-23(32-24)18-12-13-20(29-5-2)21(16-18)30-6-3/h9-13,15-16H,4-8,14H2,1-3H3,(H,25,27,28)
InChIKeyMPZCSEXISFIAGM-UHFFFAOYSA-N
XLogP5.36
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.51
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide
CID 43976718
3-butoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41028171
3-butoxy-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4525703
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide
CID 43975859
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975865
4-butoxy-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7655666
3-butoxy-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578258
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide
CID 4154111
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide
CID 43975922
3-butoxy-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2104567
3-butoxy-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578184
4-pentoxy-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41227499

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide?
The IUPAC name of N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide (CID 43975905) is N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide.
What is the SMILES notation for N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide?
The canonical SMILES for N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide is CCCCCOc1cccc(C(=O)Nc2nnc(-c3ccc(OCC)c(OCC)c3)o2)c1.
What is the InChIKey of N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide?
The InChIKey is MPZCSEXISFIAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-4-7-8-14-31-19-11-9-10-17(15-19)22(28)25-24-27-26-23(32-24)18-12-13-20(29-5-2)21(16-18)30-6-3/h9-13,15-16H,4-8,14H2,1-3H3,(H,25,27,28).
What are the key properties of N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide?
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide has a molecular weight of 439.51 g/mol, XLogP of 5.36, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide is sourced from PubChem (CID 43975905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).