2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-(4-chlorophenyl)acetamide;hydrochloride

C15H21Cl2N5O2 — CID 120751904

IUPAC2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-(4-chlorophenyl)acetamide;hydrochloride
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1)Cc1noc(CN)n1.Cl
InChIInChI=1S/C15H20ClN5O2.ClH/c1-2-7-21(9-13-19-15(8-17)23-20-13)10-14(22)18-12-5-3-11(16)4-6-12;/h3-6H,2,7-10,17H2,1H3,(H,18,22);1H
InChIKeyJYMOITPPQCZSKI-UHFFFAOYSA-N
MW374.27 g/mol
LogP2.45
Rot. Bonds8

About 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-(4-chlorophenyl)acetamide;hydrochloride

2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-(4-chlorophenyl)acetamide;hydrochloride (PubChem CID 120751904) has the molecular formula C15H21Cl2N5O2 and a molecular weight of 374.27 g/mol. Its IUPAC name is 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-(4-chlorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-(4-chlorophenyl)acetamide;hydrochloride
PubChem CID120751904
Molecular FormulaC15H21Cl2N5O2
Molecular Weight374.27 g/mol
Exact Mass373.11
IUPAC Name2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-(4-chlorophenyl)acetamide;hydrochloride
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1)Cc1noc(CN)n1.Cl
InChIInChI=1S/C15H20ClN5O2.ClH/c1-2-7-21(9-13-19-15(8-17)23-20-13)10-14(22)18-12-5-3-11(16)4-6-12;/h3-6H,2,7-10,17H2,1H3,(H,18,22);1H
InChIKeyJYMOITPPQCZSKI-UHFFFAOYSA-N
XLogP2.45
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-methylacetamide
CID 114218012
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 120750434
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 120751211
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-ethylamino]-N-(2-methoxyphenyl)acetamide;hydrochloride
CID 120750508
2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(4-chlorophenyl)acetamide
CID 120900436
N-(4-chlorophenyl)-3-(dipropylamino)propanamide
CID 109033132
2-(aminomethyl)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119783817
N-(4-chlorophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9038956
2-(aminomethyl)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 119783818
N-(4-chlorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106616029
4-[[2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-propylamino]acetyl]amino]benzamide
CID 2541352
N-(4-chlorophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]acetamide
CID 9040102

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-(4-chlorophenyl)acetamide;hydrochloride?
The IUPAC name of 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-(4-chlorophenyl)acetamide;hydrochloride (CID 120751904) is 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-(4-chlorophenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-(4-chlorophenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-(4-chlorophenyl)acetamide;hydrochloride is CCCN(CC(=O)Nc1ccc(Cl)cc1)Cc1noc(CN)n1.Cl.
What is the InChIKey of 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-(4-chlorophenyl)acetamide;hydrochloride?
The InChIKey is JYMOITPPQCZSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O2.ClH/c1-2-7-21(9-13-19-15(8-17)23-20-13)10-14(22)18-12-5-3-11(16)4-6-12;/h3-6H,2,7-10,17H2,1H3,(H,18,22);1H.
What are the key properties of 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-(4-chlorophenyl)acetamide;hydrochloride?
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-(4-chlorophenyl)acetamide;hydrochloride has a molecular weight of 374.27 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-(4-chlorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 120751904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).