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

C15H23ClN4O3 — CID 119586530

IUPACN-(1-amino-4-methylpentan-2-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)CCc1nc(-c2ccco2)no1.Cl
InChIInChI=1S/C15H22N4O3.ClH/c1-10(2)8-11(9-16)17-13(20)5-6-14-18-15(19-22-14)12-4-3-7-21-12;/h3-4,7,10-11H,5-6,8-9,16H2,1-2H3,(H,17,20);1H
InChIKeySWIXNKDAPXYAAY-UHFFFAOYSA-N
MW342.83 g/mol
LogP2.17
Rot. Bonds8

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

N-(1-amino-4-methylpentan-2-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride (PubChem CID 119586530) has the molecular formula C15H23ClN4O3 and a molecular weight of 342.83 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
PubChem CID119586530
Molecular FormulaC15H23ClN4O3
Molecular Weight342.83 g/mol
Exact Mass342.15
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)CCc1nc(-c2ccco2)no1.Cl
InChIInChI=1S/C15H22N4O3.ClH/c1-10(2)8-11(9-16)17-13(20)5-6-14-18-15(19-22-14)12-4-3-7-21-12;/h3-4,7,10-11H,5-6,8-9,16H2,1-2H3,(H,17,20);1H
InChIKeySWIXNKDAPXYAAY-UHFFFAOYSA-N
XLogP2.17
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid
CID 119238162
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]propanamide
CID 86921929
N-(1-aminopropan-2-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride
CID 119582562
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxypropyl)propanamide
CID 36741660
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 42892461
3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2,2-dimethylpropanoic acid
CID 119249678
N-(4-ethylphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 36705195
N-(2-anilino-3-methylbutyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55554755
N-(1-amino-4-methylpentan-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119588243
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(furan-2-yl)ethyl]propanamide
CID 9482323
N-(3-amino-4-methylpentyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride
CID 119658647
N-(3,4-dichlorophenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 36654595

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride (CID 119586530) is N-(1-amino-4-methylpentan-2-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride is CC(C)CC(CN)NC(=O)CCc1nc(-c2ccco2)no1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?
The InChIKey is SWIXNKDAPXYAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3.ClH/c1-10(2)8-11(9-16)17-13(20)5-6-14-18-15(19-22-14)12-4-3-7-21-12;/h3-4,7,10-11H,5-6,8-9,16H2,1-2H3,(H,17,20);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride has a molecular weight of 342.83 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride is sourced from PubChem (CID 119586530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).