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

C20H29ClN4O3 — CID 119591603

IUPACN-(2-amino-1-cyclohexylethyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
SMILESCOc1ccc(-c2noc(CCC(=O)NC(CN)C3CCCCC3)n2)cc1.Cl
InChIInChI=1S/C20H28N4O3.ClH/c1-26-16-9-7-15(8-10-16)20-23-19(27-24-20)12-11-18(25)22-17(13-21)14-5-3-2-4-6-14;/h7-10,14,17H,2-6,11-13,21H2,1H3,(H,22,25);1H
InChIKeyIKEAYFQLVYKUAG-UHFFFAOYSA-N
MW408.93 g/mol
LogP3.12
Rot. Bonds8

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

N-(2-amino-1-cyclohexylethyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride (PubChem CID 119591603) has the molecular formula C20H29ClN4O3 and a molecular weight of 408.93 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
PubChem CID119591603
Molecular FormulaC20H29ClN4O3
Molecular Weight408.93 g/mol
Exact Mass408.19
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
SMILESCOc1ccc(-c2noc(CCC(=O)NC(CN)C3CCCCC3)n2)cc1.Cl
InChIInChI=1S/C20H28N4O3.ClH/c1-26-16-9-7-15(8-10-16)20-23-19(27-24-20)12-11-18(25)22-17(13-21)14-5-3-2-4-6-14;/h7-10,14,17H,2-6,11-13,21H2,1H3,(H,22,25);1H
InChIKeyIKEAYFQLVYKUAG-UHFFFAOYSA-N
XLogP3.12
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 119591604
N-cycloheptyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16594216
N-[(1R)-1-cyclopropylethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 42101944
N-(2-amino-1-cyclohexylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride
CID 119591258
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100760240
N-cyclopentyl-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2984448
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methylhexan-2-yl)propanamide
CID 18134897
N-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46586192
(2R)-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-3-methylbutanoic acid
CID 119368338
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 7419913
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513928
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 119608419

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride (CID 119591603) is N-(2-amino-1-cyclohexylethyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride is COc1ccc(-c2noc(CCC(=O)NC(CN)C3CCCCC3)n2)cc1.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?
The InChIKey is IKEAYFQLVYKUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3.ClH/c1-26-16-9-7-15(8-10-16)20-23-19(27-24-20)12-11-18(25)22-17(13-21)14-5-3-2-4-6-14;/h7-10,14,17H,2-6,11-13,21H2,1H3,(H,22,25);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride has a molecular weight of 408.93 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride is sourced from PubChem (CID 119591603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).