N-(1-hydroxy-1-phenylpentan-2-yl)-4-(1,2,4-oxadiazol-3-yl)benzamide

C20H21N3O3 — CID 166220419

IUPACN-(1-hydroxy-1-phenylpentan-2-yl)-4-(1,2,4-oxadiazol-3-yl)benzamide
SMILESCCCC(NC(=O)c1ccc(-c2ncon2)cc1)C(O)c1ccccc1
InChIInChI=1S/C20H21N3O3/c1-2-6-17(18(24)14-7-4-3-5-8-14)22-20(25)16-11-9-15(10-12-16)19-21-13-26-23-19/h3-5,7-13,17-18,24H,2,6H2,1H3,(H,22,25)
InChIKeyUVUJMTOGLGRJOV-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.37
Rot. Bonds7

About N-(1-hydroxy-1-phenylpentan-2-yl)-4-(1,2,4-oxadiazol-3-yl)benzamide

N-(1-hydroxy-1-phenylpentan-2-yl)-4-(1,2,4-oxadiazol-3-yl)benzamide (PubChem CID 166220419) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(1-hydroxy-1-phenylpentan-2-yl)-4-(1,2,4-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(1-hydroxy-1-phenylpentan-2-yl)-4-(1,2,4-oxadiazol-3-yl)benzamide
PubChem CID166220419
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(1-hydroxy-1-phenylpentan-2-yl)-4-(1,2,4-oxadiazol-3-yl)benzamide
SMILESCCCC(NC(=O)c1ccc(-c2ncon2)cc1)C(O)c1ccccc1
InChIInChI=1S/C20H21N3O3/c1-2-6-17(18(24)14-7-4-3-5-8-14)22-20(25)16-11-9-15(10-12-16)19-21-13-26-23-19/h3-5,7-13,17-18,24H,2,6H2,1H3,(H,22,25)
InChIKeyUVUJMTOGLGRJOV-UHFFFAOYSA-N
XLogP3.37
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-(dipropylamino)propan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 162647562
N-[(2R)-1-methoxypropan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 154835530
N-[2-(ethylamino)ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119508201
2-ethyl-2-[[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]butanoic acid
CID 120533257
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 109381223
4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide
CID 97250958
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 111108380
(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 126627406
N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
CID 119629349
4-methyl-4-[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]pentanoic acid
CID 119357421
4-(2-methyltetrazol-5-yl)-N-[(1R)-1-phenylbutyl]benzamide
CID 29116117
N-(3-aminopropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119407873

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-1-phenylpentan-2-yl)-4-(1,2,4-oxadiazol-3-yl)benzamide?
The IUPAC name of N-(1-hydroxy-1-phenylpentan-2-yl)-4-(1,2,4-oxadiazol-3-yl)benzamide (CID 166220419) is N-(1-hydroxy-1-phenylpentan-2-yl)-4-(1,2,4-oxadiazol-3-yl)benzamide.
What is the SMILES notation for N-(1-hydroxy-1-phenylpentan-2-yl)-4-(1,2,4-oxadiazol-3-yl)benzamide?
The canonical SMILES for N-(1-hydroxy-1-phenylpentan-2-yl)-4-(1,2,4-oxadiazol-3-yl)benzamide is CCCC(NC(=O)c1ccc(-c2ncon2)cc1)C(O)c1ccccc1.
What is the InChIKey of N-(1-hydroxy-1-phenylpentan-2-yl)-4-(1,2,4-oxadiazol-3-yl)benzamide?
The InChIKey is UVUJMTOGLGRJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-2-6-17(18(24)14-7-4-3-5-8-14)22-20(25)16-11-9-15(10-12-16)19-21-13-26-23-19/h3-5,7-13,17-18,24H,2,6H2,1H3,(H,22,25).
What are the key properties of N-(1-hydroxy-1-phenylpentan-2-yl)-4-(1,2,4-oxadiazol-3-yl)benzamide?
N-(1-hydroxy-1-phenylpentan-2-yl)-4-(1,2,4-oxadiazol-3-yl)benzamide has a molecular weight of 351.41 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-1-phenylpentan-2-yl)-4-(1,2,4-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 166220419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).