N'-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide

C16H20N4O5 — CID 51043020

IUPACN'-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide
SMILESCCC(CO)(CO)NC(=O)C(=O)Nc1ccc(-c2nnc(C)o2)cc1
InChIInChI=1S/C16H20N4O5/c1-3-16(8-21,9-22)18-14(24)13(23)17-12-6-4-11(5-7-12)15-20-19-10(2)25-15/h4-7,21-22H,3,8-9H2,1-2H3,(H,17,23)(H,18,24)
InChIKeyJLLAEDXTEYHSSU-UHFFFAOYSA-N
MW348.36 g/mol
LogP0.23
Rot. Bonds6

About N'-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide

N'-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide (PubChem CID 51043020) has the molecular formula C16H20N4O5 and a molecular weight of 348.36 g/mol. Its IUPAC name is N'-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide
PubChem CID51043020
Molecular FormulaC16H20N4O5
Molecular Weight348.36 g/mol
Exact Mass348.14
IUPAC NameN'-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide
SMILESCCC(CO)(CO)NC(=O)C(=O)Nc1ccc(-c2nnc(C)o2)cc1
InChIInChI=1S/C16H20N4O5/c1-3-16(8-21,9-22)18-14(24)13(23)17-12-6-4-11(5-7-12)15-20-19-10(2)25-15/h4-7,21-22H,3,8-9H2,1-2H3,(H,17,23)(H,18,24)
InChIKeyJLLAEDXTEYHSSU-UHFFFAOYSA-N
XLogP0.23
TPSA137.58 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 107847359
2-amino-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
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1-(5-hydroxy-4,4-dimethylpentyl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 111618292
N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide
CID 124575491
N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-phenylacetamide
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N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-3-ylmethyl)oxamide
CID 51044362
N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide
CID 124648090
2-(2-methoxyphenoxy)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 25284211
N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 110725523
1-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 96569829
1-[(2-ethylphenyl)methyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 71864877
2-(hydroxymethyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N'-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide?
The IUPAC name of N'-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide (CID 51043020) is N'-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide.
What is the SMILES notation for N'-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide?
The canonical SMILES for N'-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide is CCC(CO)(CO)NC(=O)C(=O)Nc1ccc(-c2nnc(C)o2)cc1.
What is the InChIKey of N'-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide?
The InChIKey is JLLAEDXTEYHSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5/c1-3-16(8-21,9-22)18-14(24)13(23)17-12-6-4-11(5-7-12)15-20-19-10(2)25-15/h4-7,21-22H,3,8-9H2,1-2H3,(H,17,23)(H,18,24).
What are the key properties of N'-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide?
N'-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide has a molecular weight of 348.36 g/mol, XLogP of 0.23, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide is sourced from PubChem (CID 51043020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).