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

C11H16BrN3O2 — CID 113227487

IUPACN-(2-bromoprop-2-enyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESC=C(Br)CNC(=O)CCc1nc(CCC)no1
InChIInChI=1S/C11H16BrN3O2/c1-3-4-9-14-11(17-15-9)6-5-10(16)13-7-8(2)12/h2-7H2,1H3,(H,13,16)
InChIKeyXKNVAEHQNWPJAG-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.98
Rot. Bonds7

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

N-(2-bromoprop-2-enyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 113227487) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID113227487
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC NameN-(2-bromoprop-2-enyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESC=C(Br)CNC(=O)CCc1nc(CCC)no1
InChIInChI=1S/C11H16BrN3O2/c1-3-4-9-14-11(17-15-9)6-5-10(16)13-7-8(2)12/h2-7H2,1H3,(H,13,16)
InChIKeyXKNVAEHQNWPJAG-UHFFFAOYSA-N
XLogP1.98
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 103933442
N-[2-(ethylamino)ethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119508746
N-(1-hydroxybutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 43417872
(2R)-3-hydroxy-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 80750774
N-(1-hydroxy-2-methylbutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 64557390
3-hydroxy-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 43357554
N,N-diethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 51076743
N-[4-(hydroxymethyl)phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 64795052
1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 43351008
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-(2-bromoprop-2-enyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide (CID 113227487) is N-(2-bromoprop-2-enyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide is C=C(Br)CNC(=O)CCc1nc(CCC)no1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is XKNVAEHQNWPJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-3-4-9-14-11(17-15-9)6-5-10(16)13-7-8(2)12/h2-7H2,1H3,(H,13,16).
What are the key properties of N-(2-bromoprop-2-enyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
N-(2-bromoprop-2-enyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 302.17 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 113227487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).