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

C12H21N3O3 — CID 43417872

IUPACN-(1-hydroxybutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCCc1noc(CCC(=O)NC(CC)CO)n1
InChIInChI=1S/C12H21N3O3/c1-3-5-10-14-12(18-15-10)7-6-11(17)13-9(4-2)8-16/h9,16H,3-8H2,1-2H3,(H,13,17)
InChIKeyGLNCYLRGHIGCQF-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.84
Rot. Bonds8

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

N-(1-hydroxybutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 43417872) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID43417872
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-(1-hydroxybutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCCc1noc(CCC(=O)NC(CC)CO)n1
InChIInChI=1S/C12H21N3O3/c1-3-5-10-14-12(18-15-10)7-6-11(17)13-9(4-2)8-16/h9,16H,3-8H2,1-2H3,(H,13,17)
InChIKeyGLNCYLRGHIGCQF-UHFFFAOYSA-N
XLogP0.84
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-3-hydroxy-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 80750774
3-hydroxy-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 43357554
2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
CID 43469214
methyl 3-hydroxy-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoate
CID 43623424
2-cyclopropyl-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid
CID 62696305
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 30656152
(2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid
CID 119238057
2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid
CID 119223527
N-(1-hydroxy-2-methylbutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 64557390
N-(1-amino-4-methylpentan-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119588243
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 103933442
N-(2-bromoprop-2-enyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 113227487

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide (CID 43417872) is N-(1-hydroxybutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide is CCCc1noc(CCC(=O)NC(CC)CO)n1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is GLNCYLRGHIGCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-3-5-10-14-12(18-15-10)7-6-11(17)13-9(4-2)8-16/h9,16H,3-8H2,1-2H3,(H,13,17).
What are the key properties of N-(1-hydroxybutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
N-(1-hydroxybutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 255.32 g/mol, XLogP of 0.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 43417872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).