N-(3-amino-4-methylpentyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride

C16H25ClN4O3 — CID 119658647

IUPACN-(3-amino-4-methylpentyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)CCc1nc(-c2ccco2)no1.Cl
InChIInChI=1S/C16H24N4O3.ClH/c1-11(2)12(17)8-9-20(3)15(21)7-6-14-18-16(19-23-14)13-5-4-10-22-13;/h4-5,10-12H,6-9,17H2,1-3H3;1H
InChIKeyKLRKPWOXOIUOAZ-UHFFFAOYSA-N
MW356.85 g/mol
LogP2.52
Rot. Bonds8

About N-(3-amino-4-methylpentyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride

N-(3-amino-4-methylpentyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride (PubChem CID 119658647) has the molecular formula C16H25ClN4O3 and a molecular weight of 356.85 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride
PubChem CID119658647
Molecular FormulaC16H25ClN4O3
Molecular Weight356.85 g/mol
Exact Mass356.16
IUPAC NameN-(3-amino-4-methylpentyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)CCc1nc(-c2ccco2)no1.Cl
InChIInChI=1S/C16H24N4O3.ClH/c1-11(2)12(17)8-9-20(3)15(21)7-6-14-18-16(19-23-14)13-5-4-10-22-13;/h4-5,10-12H,6-9,17H2,1-3H3;1H
InChIKeyKLRKPWOXOIUOAZ-UHFFFAOYSA-N
XLogP2.52
TPSA98.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-aminopropan-2-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride
CID 119582562
N-(3-amino-4-methylpentyl)-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride
CID 119658015
N-[(2-chlorophenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 36702512
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 70753269
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 35701708
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
CID 38769599
N-(1,3-benzothiazol-2-ylmethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 36746928
N-(3-amino-4-methylpentyl)-N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119660679
N-(3-amino-4-methylpentyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylbutanamide;hydrochloride
CID 119658824
(2S)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid
CID 119238162
N-(1-amino-4-methylpentan-2-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 119586530
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 46985361

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride (CID 119658647) is N-(3-amino-4-methylpentyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)CCc1nc(-c2ccco2)no1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride?
The InChIKey is KLRKPWOXOIUOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3.ClH/c1-11(2)12(17)8-9-20(3)15(21)7-6-14-18-16(19-23-14)13-5-4-10-22-13;/h4-5,10-12H,6-9,17H2,1-3H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride?
N-(3-amino-4-methylpentyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride has a molecular weight of 356.85 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 119658647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).