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

C19H27ClN4O3 — CID 119610419

IUPACN-[2-(aminomethyl)cyclohexyl]-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride
SMILESCCc1nc(COc2ccc(C(=O)NC3CCCCC3CN)cc2)no1.Cl
InChIInChI=1S/C19H26N4O3.ClH/c1-2-18-22-17(23-26-18)12-25-15-9-7-13(8-10-15)19(24)21-16-6-4-3-5-14(16)11-20;/h7-10,14,16H,2-6,11-12,20H2,1H3,(H,21,24);1H
InChIKeyFGILBULARSXBAQ-UHFFFAOYSA-N
MW394.90 g/mol
LogP2.88
Rot. Bonds7

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

N-[2-(aminomethyl)cyclohexyl]-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride (PubChem CID 119610419) has the molecular formula C19H27ClN4O3 and a molecular weight of 394.90 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride
PubChem CID119610419
Molecular FormulaC19H27ClN4O3
Molecular Weight394.90 g/mol
Exact Mass394.18
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride
SMILESCCc1nc(COc2ccc(C(=O)NC3CCCCC3CN)cc2)no1.Cl
InChIInChI=1S/C19H26N4O3.ClH/c1-2-18-22-17(23-26-18)12-25-15-9-7-13(8-10-15)19(24)21-16-6-4-3-5-14(16)11-20;/h7-10,14,16H,2-6,11-12,20H2,1H3,(H,21,24);1H
InChIKeyFGILBULARSXBAQ-UHFFFAOYSA-N
XLogP2.88
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminoethyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride
CID 119383309
N-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide
CID 119610066
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120599625
N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride
CID 119609783
[2-(aminomethyl)piperidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 119467487
2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-2-methylpropanoic acid
CID 119187712
N-[2-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide;hydrochloride
CID 119602452
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556658
N-[2-(aminomethyl)cyclopentyl]-4-prop-2-enoxybenzamide;hydrochloride
CID 119604415
N-[2-(aminomethyl)cyclohexyl]-4-(difluoromethoxy)benzamide;hydrochloride
CID 119609331
[(3R)-3-aminopyrrolidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 119410766
5-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]pentanoic acid
CID 119234883

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride (CID 119610419) is N-[2-(aminomethyl)cyclohexyl]-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride is CCc1nc(COc2ccc(C(=O)NC3CCCCC3CN)cc2)no1.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride?
The InChIKey is FGILBULARSXBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3.ClH/c1-2-18-22-17(23-26-18)12-25-15-9-7-13(8-10-15)19(24)21-16-6-4-3-5-14(16)11-20;/h7-10,14,16H,2-6,11-12,20H2,1H3,(H,21,24);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride has a molecular weight of 394.90 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride is sourced from PubChem (CID 119610419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).