N-(2-phenylethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide

C23H19N3O2 — CID 20973301

IUPACN-(2-phenylethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESO=C(NCCc1ccccc1)c1cccc(-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C23H19N3O2/c27-22(24-15-14-17-8-3-1-4-9-17)19-12-7-13-20(16-19)23-25-21(26-28-23)18-10-5-2-6-11-18/h1-13,16H,14-15H2,(H,24,27)
InChIKeyBDQXXFMEFYPQGP-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.38
Rot. Bonds6

About N-(2-phenylethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide

N-(2-phenylethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 20973301) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(2-phenylethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID20973301
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC NameN-(2-phenylethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESO=C(NCCc1ccccc1)c1cccc(-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C23H19N3O2/c27-22(24-15-14-17-8-3-1-4-9-17)19-12-7-13-20(16-19)23-25-21(26-28-23)18-10-5-2-6-11-18/h1-13,16H,14-15H2,(H,24,27)
InChIKeyBDQXXFMEFYPQGP-UHFFFAOYSA-N
XLogP4.38
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973291
N-cyclopentyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973288
N-[(2S)-butan-2-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 92729267
3-(2,6-dichlorophenyl)-N-(2-phenylethyl)benzamide
CID 86048215
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide
CID 50828682
3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109054092
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730
3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide
CID 134803345
methyl 3-[3-[4-(2-hydroxyethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzoate
CID 130232199
N-(2-phenylethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 17101225
N-(2-methoxyphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50828728
3-(1-benzylbenzimidazol-2-yl)-N-(2-phenylethyl)benzamide
CID 90040181

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-(2-phenylethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide (CID 20973301) is N-(2-phenylethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-(2-phenylethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-(2-phenylethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide is O=C(NCCc1ccccc1)c1cccc(-c2nc(-c3ccccc3)no2)c1.
What is the InChIKey of N-(2-phenylethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is BDQXXFMEFYPQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-22(24-15-14-17-8-3-1-4-9-17)19-12-7-13-20(16-19)23-25-21(26-28-23)18-10-5-2-6-11-18/h1-13,16H,14-15H2,(H,24,27).
What are the key properties of N-(2-phenylethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
N-(2-phenylethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 369.42 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 20973301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).