N-(2-aminoethyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride

C14H19ClN4O3 — CID 119383309

IUPACN-(2-aminoethyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride
SMILESCCc1nc(COc2ccc(C(=O)NCCN)cc2)no1.Cl
InChIInChI=1S/C14H18N4O3.ClH/c1-2-13-17-12(18-21-13)9-20-11-5-3-10(4-6-11)14(19)16-8-7-15;/h3-6H,2,7-9,15H2,1H3,(H,16,19);1H
InChIKeyJIEUELAPBHJZIE-UHFFFAOYSA-N
MW326.78 g/mol
LogP1.32
Rot. Bonds7

About N-(2-aminoethyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride

N-(2-aminoethyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride (PubChem CID 119383309) has the molecular formula C14H19ClN4O3 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride
PubChem CID119383309
Molecular FormulaC14H19ClN4O3
Molecular Weight326.78 g/mol
Exact Mass326.11
IUPAC NameN-(2-aminoethyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride
SMILESCCc1nc(COc2ccc(C(=O)NCCN)cc2)no1.Cl
InChIInChI=1S/C14H18N4O3.ClH/c1-2-13-17-12(18-21-13)9-20-11-5-3-10(4-6-11)14(19)16-8-7-15;/h3-6H,2,7-9,15H2,1H3,(H,16,19);1H
InChIKeyJIEUELAPBHJZIE-UHFFFAOYSA-N
XLogP1.32
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]pentanoic acid
CID 119234883
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperazin-1-ylethyl)benzamide
CID 119446462
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556658
2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-2-methylpropanoic acid
CID 119187712
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 126777122
N-[2-(aminomethyl)cyclohexyl]-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride
CID 119610419
(2R)-2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-4-methylpentanoic acid
CID 119364476
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120599625
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[2-(6-methyl-1H-indol-3-yl)ethyl]benzamide
CID 86957414
N-ethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 47137708
2-[ethyl-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetic acid
CID 119206239
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-one
CID 115495429

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride (CID 119383309) is N-(2-aminoethyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride is CCc1nc(COc2ccc(C(=O)NCCN)cc2)no1.Cl.
What is the InChIKey of N-(2-aminoethyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride?
The InChIKey is JIEUELAPBHJZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3.ClH/c1-2-13-17-12(18-21-13)9-20-11-5-3-10(4-6-11)14(19)16-8-7-15;/h3-6H,2,7-9,15H2,1H3,(H,16,19);1H.
What are the key properties of N-(2-aminoethyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride?
N-(2-aminoethyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride has a molecular weight of 326.78 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride is sourced from PubChem (CID 119383309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).