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

C24H21N3O3 — CID 46377580

IUPAC4-ethoxy-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCCOc1ccc(C(=O)NC(c2ccccc2)c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C24H21N3O3/c1-2-29-20-15-13-18(14-16-20)22(28)25-21(17-9-5-3-6-10-17)24-27-26-23(30-24)19-11-7-4-8-12-19/h3-16,21H,2H2,1H3,(H,25,28)
InChIKeyVSBHDOLJIFGVTE-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.65
Rot. Bonds7

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

4-ethoxy-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 46377580) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-ethoxy-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
PubChem CID46377580
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name4-ethoxy-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCCOc1ccc(C(=O)NC(c2ccccc2)c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C24H21N3O3/c1-2-29-20-15-13-18(14-16-20)22(28)25-21(17-9-5-3-6-10-17)24-27-26-23(30-24)19-11-7-4-8-12-19/h3-16,21H,2H2,1H3,(H,25,28)
InChIKeyVSBHDOLJIFGVTE-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(S)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methoxybenzamide
CID 26791746
N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 92880072
2-(4-methylphenoxy)-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 46249420
N-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methylbenzamide
CID 26791742
N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-ethoxybenzamide
CID 28718254
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-ethoxyphenoxy)acetate
CID 7628188
N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 20960141
N-[(S)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 92711110
4-cyano-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide
CID 55659561
N-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxybenzamide
CID 28760976
4-ethoxy-N-[(S)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 92700728
N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methoxybenzamide
CID 28814350

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The IUPAC name of 4-ethoxy-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 46377580) is 4-ethoxy-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide is CCOc1ccc(C(=O)NC(c2ccccc2)c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 4-ethoxy-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The InChIKey is VSBHDOLJIFGVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-2-29-20-15-13-18(14-16-20)22(28)25-21(17-9-5-3-6-10-17)24-27-26-23(30-24)19-11-7-4-8-12-19/h3-16,21H,2H2,1H3,(H,25,28).
What are the key properties of 4-ethoxy-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
4-ethoxy-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 399.45 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 46377580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).