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

C12H21N3O2 — CID 51076743

IUPACN,N-diethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCCc1noc(CCC(=O)N(CC)CC)n1
InChIInChI=1S/C12H21N3O2/c1-4-7-10-13-11(17-14-10)8-9-12(16)15(5-2)6-3/h4-9H2,1-3H3
InChIKeyDPUYNSWKWHNHIQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.82
Rot. Bonds7

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

N,N-diethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 51076743) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N,N-diethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID51076743
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN,N-diethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCCc1noc(CCC(=O)N(CC)CC)n1
InChIInChI=1S/C12H21N3O2/c1-4-7-10-13-11(17-14-10)8-9-12(16)15(5-2)6-3/h4-9H2,1-3H3
InChIKeyDPUYNSWKWHNHIQ-UHFFFAOYSA-N
XLogP1.82
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[methyl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid
CID 62818114
N,N-diethyl-3-[3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]propanamide;dihydrochloride
CID 155823355
N,N-diethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 86982229
N,N-diethyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 20918519
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 87011070
N-(1-aminopropan-2-yl)-N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119584608
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 103933442
N,N-diethyl-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 2019912
3-[3-[[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N,N-diethylpropanamide
CID 20918527
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

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N,N-diethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide (CID 51076743) is N,N-diethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N,N-diethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N,N-diethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide is CCCc1noc(CCC(=O)N(CC)CC)n1.
What is the InChIKey of N,N-diethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is DPUYNSWKWHNHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-7-10-13-11(17-14-10)8-9-12(16)15(5-2)6-3/h4-9H2,1-3H3.
What are the key properties of N,N-diethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
N,N-diethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 239.32 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 51076743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).