N-(1-aminohexan-2-yl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride

C17H24Cl2N4O2 — CID 119665361

IUPACN-(1-aminohexan-2-yl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
SMILESCCCCC(CN)NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1.Cl
InChIInChI=1S/C17H23ClN4O2.ClH/c1-2-3-4-14(11-19)20-15(23)9-10-16-21-17(22-24-16)12-5-7-13(18)8-6-12;/h5-8,14H,2-4,9-11,19H2,1H3,(H,20,23);1H
InChIKeyMWGWDWUSUMZDKM-UHFFFAOYSA-N
MW387.31 g/mol
LogP3.38
Rot. Bonds9

About N-(1-aminohexan-2-yl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride

N-(1-aminohexan-2-yl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride (PubChem CID 119665361) has the molecular formula C17H24Cl2N4O2 and a molecular weight of 387.31 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
PubChem CID119665361
Molecular FormulaC17H24Cl2N4O2
Molecular Weight387.31 g/mol
Exact Mass386.13
IUPAC NameN-(1-aminohexan-2-yl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
SMILESCCCCC(CN)NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1.Cl
InChIInChI=1S/C17H23ClN4O2.ClH/c1-2-3-4-14(11-19)20-15(23)9-10-16-21-17(22-24-16)12-5-7-13(18)8-6-12;/h5-8,14H,2-4,9-11,19H2,1H3,(H,20,23);1H
InChIKeyMWGWDWUSUMZDKM-UHFFFAOYSA-N
XLogP3.38
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-pentan-2-yl]propanamide
CID 99641746
diethyl 2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanedioate
CID 33247967
N-[(2S)-1-aminopropan-2-yl]-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride
CID 120507694
(2R)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylpropanamide
CID 9227893
(2S)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-ethylpropanamide
CID 9470716
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pentan-2-ylpropanamide
CID 18092722
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 94051750
methyl (2S)-2-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]propanoate
CID 87040359
N-[1-(4-chlorophenyl)ethyl]-3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 133244447
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(4-chlorophenyl)ethyl]propanamide
CID 133209753
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(furan-2-yl)ethyl]propanamide
CID 9482323
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-pentan-2-yl]propanamide
CID 100764456

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride (CID 119665361) is N-(1-aminohexan-2-yl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride is CCCCC(CN)NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?
The InChIKey is MWGWDWUSUMZDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O2.ClH/c1-2-3-4-14(11-19)20-15(23)9-10-16-21-17(22-24-16)12-5-7-13(18)8-6-12;/h5-8,14H,2-4,9-11,19H2,1H3,(H,20,23);1H.
What are the key properties of N-(1-aminohexan-2-yl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?
N-(1-aminohexan-2-yl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride has a molecular weight of 387.31 g/mol, XLogP of 3.38, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride is sourced from PubChem (CID 119665361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).