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

C20H21ClN4O3 — CID 119323634

IUPAC4-(aminomethyl)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]benzamide;hydrochloride
SMILESCl.NCc1ccc(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)cc1
InChIInChI=1S/C20H20N4O3.ClH/c21-11-13-1-3-14(4-2-13)19(25)22-16-7-9-17(10-8-16)26-12-18-23-20(27-24-18)15-5-6-15;/h1-4,7-10,15H,5-6,11-12,21H2,(H,22,25);1H
InChIKeyVSPJCRVLVFRHCZ-UHFFFAOYSA-N
MW400.87 g/mol
LogP3.66
Rot. Bonds7

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

4-(aminomethyl)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]benzamide;hydrochloride (PubChem CID 119323634) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]benzamide;hydrochloride
PubChem CID119323634
Molecular FormulaC20H21ClN4O3
Molecular Weight400.87 g/mol
Exact Mass400.13
IUPAC Name4-(aminomethyl)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]benzamide;hydrochloride
SMILESCl.NCc1ccc(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)cc1
InChIInChI=1S/C20H20N4O3.ClH/c21-11-13-1-3-14(4-2-13)19(25)22-16-7-9-17(10-8-16)26-12-18-23-20(27-24-18)15-5-6-15;/h1-4,7-10,15H,5-6,11-12,21H2,(H,22,25);1H
InChIKeyVSPJCRVLVFRHCZ-UHFFFAOYSA-N
XLogP3.66
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetamide
CID 119323625
4-(aminomethyl)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]oxane-4-carboxamide;hydrochloride
CID 120932450
3-amino-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119783657
N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119783693
N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]pyrrolidine-2-carboxamide
CID 119323633
N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119783689
4-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]benzamide
CID 119325256
(2R)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,4-dioxane-2-carboxamide
CID 97314801
1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine
CID 61495662
N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2-pyrrolidin-2-ylacetamide
CID 119783690
N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119783667
N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119323619

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]benzamide;hydrochloride (CID 119323634) is 4-(aminomethyl)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]benzamide;hydrochloride is Cl.NCc1ccc(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]benzamide;hydrochloride?
The InChIKey is VSPJCRVLVFRHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3.ClH/c21-11-13-1-3-14(4-2-13)19(25)22-16-7-9-17(10-8-16)26-12-18-23-20(27-24-18)15-5-6-15;/h1-4,7-10,15H,5-6,11-12,21H2,(H,22,25);1H.
What are the key properties of 4-(aminomethyl)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]benzamide;hydrochloride?
4-(aminomethyl)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]benzamide;hydrochloride has a molecular weight of 400.87 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 119323634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).