N-[2-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide;hydrochloride

C20H23ClN4O2 — CID 120893398

IUPACN-[2-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(C)C(=O)Nc1ccccc1-c1nc(-c2ccc(CN)cc2)no1.Cl
InChIInChI=1S/C20H22N4O2.ClH/c1-20(2,3)19(25)22-16-7-5-4-6-15(16)18-23-17(24-26-18)14-10-8-13(12-21)9-11-14;/h4-11H,12,21H2,1-3H3,(H,22,25);1H
InChIKeyHZHQGXBUQIYDNB-UHFFFAOYSA-N
MW386.88 g/mol
LogP4.27
Rot. Bonds4

About N-[2-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide;hydrochloride

N-[2-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide;hydrochloride (PubChem CID 120893398) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-[2-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide;hydrochloride
PubChem CID120893398
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC NameN-[2-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(C)C(=O)Nc1ccccc1-c1nc(-c2ccc(CN)cc2)no1.Cl
InChIInChI=1S/C20H22N4O2.ClH/c1-20(2,3)19(25)22-16-7-5-4-6-15(16)18-23-17(24-26-18)14-10-8-13(12-21)9-11-14;/h4-11H,12,21H2,1-3H3,(H,22,25);1H
InChIKeyHZHQGXBUQIYDNB-UHFFFAOYSA-N
XLogP4.27
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 45493199
2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide
CID 30333251
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 120855325
4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N-(2,2-dimethylpropyl)benzamide;hydrochloride
CID 120892792
2-(4-methoxyphenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 4901930
2-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866411
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenylacetamide
CID 39867097
5-bromo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 16763198
3-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide
CID 39866205
2-(4-chlorophenyl)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30332574
[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 28527543
2-ethyl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide
CID 39866769

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of N-[2-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide;hydrochloride (CID 120893398) is N-[2-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for N-[2-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for N-[2-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide;hydrochloride is CC(C)(C)C(=O)Nc1ccccc1-c1nc(-c2ccc(CN)cc2)no1.Cl.
What is the InChIKey of N-[2-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is HZHQGXBUQIYDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2.ClH/c1-20(2,3)19(25)22-16-7-5-4-6-15(16)18-23-17(24-26-18)14-10-8-13(12-21)9-11-14;/h4-11H,12,21H2,1-3H3,(H,22,25);1H.
What are the key properties of N-[2-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide;hydrochloride?
N-[2-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 386.88 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 120893398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).