N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide

C14H25N3O3 — CID 103933442

IUPACN-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCCc1noc(CCC(=O)NC(C)(C)C(C)(C)O)n1
InChIInChI=1S/C14H25N3O3/c1-6-7-10-15-12(20-17-10)9-8-11(18)16-13(2,3)14(4,5)19/h19H,6-9H2,1-5H3,(H,16,18)
InChIKeyZILLTQNVXCFQFE-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.62
Rot. Bonds7

About N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide

N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 103933442) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID103933442
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCCc1noc(CCC(=O)NC(C)(C)C(C)(C)O)n1
InChIInChI=1S/C14H25N3O3/c1-6-7-10-15-12(20-17-10)9-8-11(18)16-13(2,3)14(4,5)19/h19H,6-9H2,1-5H3,(H,16,18)
InChIKeyZILLTQNVXCFQFE-UHFFFAOYSA-N
XLogP1.62
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxy-2-methylbutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 64557390
N-(2-hydroxy-2-methylpentyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 103713290
2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
CID 43469214
N-(2-bromoprop-2-enyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 113227487
N-(1-hydroxybutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 43417872
3-hydroxy-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 43357554
(2R)-3-hydroxy-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 80750774
N,N-diethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 51076743
2-methyl-2-[methyl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid
CID 62818114
1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 43351008
N-[4-(hydroxymethyl)phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 64795052
methyl 3-hydroxy-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoate
CID 43623424

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide (CID 103933442) is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide is CCCc1noc(CCC(=O)NC(C)(C)C(C)(C)O)n1.
What is the InChIKey of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is ZILLTQNVXCFQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-6-7-10-15-12(20-17-10)9-8-11(18)16-13(2,3)14(4,5)19/h19H,6-9H2,1-5H3,(H,16,18).
What are the key properties of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 283.37 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 103933442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).