4-benzyl-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C24H21N3O3 — CID 43975649

IUPAC4-benzyl-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCOc1ccc(-c2nnc(NC(=O)c3ccc(Cc4ccccc4)cc3)o2)cc1
InChIInChI=1S/C24H21N3O3/c1-2-29-21-14-12-20(13-15-21)23-26-27-24(30-23)25-22(28)19-10-8-18(9-11-19)16-17-6-4-3-5-7-17/h3-15H,2,16H2,1H3,(H,25,27,28)
InChIKeyJAOCDGSMQPNRMD-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.98
Rot. Bonds7

About 4-benzyl-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide

4-benzyl-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43975649) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-benzyl-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-benzyl-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID43975649
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name4-benzyl-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCOc1ccc(-c2nnc(NC(=O)c3ccc(Cc4ccccc4)cc3)o2)cc1
InChIInChI=1S/C24H21N3O3/c1-2-29-21-14-12-20(13-15-21)23-26-27-24(30-23)25-22(28)19-10-8-18(9-11-19)16-17-6-4-3-5-7-17/h3-15H,2,16H2,1H3,(H,25,27,28)
InChIKeyJAOCDGSMQPNRMD-UHFFFAOYSA-N
XLogP4.98
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
CID 43975667
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 4791318
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975608
4-benzyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821677
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
CID 5121950
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43975665
4-ethoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578105
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-ethylsulfanylbenzamide
CID 43975714
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
CID 16854371
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide
CID 43975859
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 4782503
4-ethoxy-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578193

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-benzyl-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 43975649) is 4-benzyl-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-benzyl-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-benzyl-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CCOc1ccc(-c2nnc(NC(=O)c3ccc(Cc4ccccc4)cc3)o2)cc1.
What is the InChIKey of 4-benzyl-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is JAOCDGSMQPNRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-2-29-21-14-12-20(13-15-21)23-26-27-24(30-23)25-22(28)19-10-8-18(9-11-19)16-17-6-4-3-5-7-17/h3-15H,2,16H2,1H3,(H,25,27,28).
What are the key properties of 4-benzyl-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-benzyl-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 399.45 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43975649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).