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

C19H19N3O2 — CID 92729267

IUPACN-[(2S)-butan-2-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCC[C@H](C)NC(=O)c1cccc(-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C19H19N3O2/c1-3-13(2)20-18(23)15-10-7-11-16(12-15)19-21-17(22-24-19)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3,(H,20,23)/t13-/m0/s1
InChIKeyHTQNRJPYFGRGML-ZDUSSCGKSA-N
MW321.38 g/mol
LogP3.93
Rot. Bonds5

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

N-[(2S)-butan-2-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 92729267) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID92729267
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[(2S)-butan-2-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCC[C@H](C)NC(=O)c1cccc(-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C19H19N3O2/c1-3-13(2)20-18(23)15-10-7-11-16(12-15)19-21-17(22-24-19)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3,(H,20,23)/t13-/m0/s1
InChIKeyHTQNRJPYFGRGML-ZDUSSCGKSA-N
XLogP3.93
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 92895825
N-(2-phenylethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973301
N-[(2S)-butan-2-yl]-3-quinolin-3-ylbenzamide
CID 92883220
3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzamide
CID 50778877
N-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973291
1-[(2R)-butan-2-yl]-3-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 92888759
1-[(2R)-butan-2-yl]-3-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 92888694
1-butan-2-yl-3-[3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 50777556
N-cyclopentyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973288
3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 17101235
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide
CID 50828682
N-(2-methoxyphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50828728

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide (CID 92729267) is N-[(2S)-butan-2-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide is CC[C@H](C)NC(=O)c1cccc(-c2nc(-c3ccccc3)no2)c1.
What is the InChIKey of N-[(2S)-butan-2-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is HTQNRJPYFGRGML-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-13(2)20-18(23)15-10-7-11-16(12-15)19-21-17(22-24-19)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3,(H,20,23)/t13-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
N-[(2S)-butan-2-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 321.38 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 92729267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).