N-(3-aminobutyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride

C12H23ClN4O2 — CID 119496886

IUPACN-(3-aminobutyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
SMILESCC(N)CCNC(=O)CCc1nc(C(C)C)no1.Cl
InChIInChI=1S/C12H22N4O2.ClH/c1-8(2)12-15-11(18-16-12)5-4-10(17)14-7-6-9(3)13;/h8-9H,4-7,13H2,1-3H3,(H,14,17);1H
InChIKeyJOYCSFSSYHVXKE-UHFFFAOYSA-N
MW290.80 g/mol
LogP1.40
Rot. Bonds7

About N-(3-aminobutyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride

N-(3-aminobutyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride (PubChem CID 119496886) has the molecular formula C12H23ClN4O2 and a molecular weight of 290.80 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
PubChem CID119496886
Molecular FormulaC12H23ClN4O2
Molecular Weight290.80 g/mol
Exact Mass290.15
IUPAC NameN-(3-aminobutyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
SMILESCC(N)CCNC(=O)CCc1nc(C(C)C)no1.Cl
InChIInChI=1S/C12H22N4O2.ClH/c1-8(2)12-15-11(18-16-12)5-4-10(17)14-7-6-9(3)13;/h8-9H,4-7,13H2,1-3H3,(H,14,17);1H
InChIKeyJOYCSFSSYHVXKE-UHFFFAOYSA-N
XLogP1.40
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxybutyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111433361
N-(3-hydroxy-4-methylpentyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111461301
N-(3-hydroxybutyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 111429116
2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid
CID 119136385
N-(3-aminobutyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 119495002
N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide
CID 60590938
N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 110893892
N-(3-aminobutyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119496253
(2R)-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 119244349
N-(3-piperazin-1-ylpropyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119392356
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119535454
N-[(4-chlorophenyl)methyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 38767491

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride (CID 119496886) is N-(3-aminobutyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride is CC(N)CCNC(=O)CCc1nc(C(C)C)no1.Cl.
What is the InChIKey of N-(3-aminobutyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride?
The InChIKey is JOYCSFSSYHVXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2.ClH/c1-8(2)12-15-11(18-16-12)5-4-10(17)14-7-6-9(3)13;/h8-9H,4-7,13H2,1-3H3,(H,14,17);1H.
What are the key properties of N-(3-aminobutyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride?
N-(3-aminobutyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride has a molecular weight of 290.80 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride is sourced from PubChem (CID 119496886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).