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

C20H23ClN4O3 — CID 120610826

IUPAC3-(2-aminophenyl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride
SMILESCOc1ccccc1C(NC(=O)CCc1ccccc1N)c1noc(C)n1.Cl
InChIInChI=1S/C20H22N4O3.ClH/c1-13-22-20(24-27-13)19(15-8-4-6-10-17(15)26-2)23-18(25)12-11-14-7-3-5-9-16(14)21;/h3-10,19H,11-12,21H2,1-2H3,(H,23,25);1H
InChIKeyCIIKOYSIKDUHIP-UHFFFAOYSA-N
MW402.88 g/mol
LogP3.23
Rot. Bonds7

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

3-(2-aminophenyl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride (PubChem CID 120610826) has the molecular formula C20H23ClN4O3 and a molecular weight of 402.88 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride
PubChem CID120610826
Molecular FormulaC20H23ClN4O3
Molecular Weight402.88 g/mol
Exact Mass402.15
IUPAC Name3-(2-aminophenyl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride
SMILESCOc1ccccc1C(NC(=O)CCc1ccccc1N)c1noc(C)n1.Cl
InChIInChI=1S/C20H22N4O3.ClH/c1-13-22-20(24-27-13)19(15-8-4-6-10-17(15)26-2)23-18(25)12-11-14-7-3-5-9-16(14)21;/h3-10,19H,11-12,21H2,1-2H3,(H,23,25);1H
InChIKeyCIIKOYSIKDUHIP-UHFFFAOYSA-N
XLogP3.23
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbutanamide
CID 95380023
N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbut-2-enamide
CID 95380039
N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939242
3-amino-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 119787151
N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-3-carboxamide
CID 95380003
N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide
CID 124560939
N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide
CID 99807901
1-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea
CID 95769889
N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-piperidin-3-ylbutanamide
CID 119787157
N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolidine-3-carboxamide
CID 134068676
N-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-7-carboxamide
CID 96563433
3-cyano-N-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 95379991

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride (CID 120610826) is 3-(2-aminophenyl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride is COc1ccccc1C(NC(=O)CCc1ccccc1N)c1noc(C)n1.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride?
The InChIKey is CIIKOYSIKDUHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3.ClH/c1-13-22-20(24-27-13)19(15-8-4-6-10-17(15)26-2)23-18(25)12-11-14-7-3-5-9-16(14)21;/h3-10,19H,11-12,21H2,1-2H3,(H,23,25);1H.
What are the key properties of 3-(2-aminophenyl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride has a molecular weight of 402.88 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 120610826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).