N-[3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]cyclopropanecarboxamide;hydrochloride

C18H23ClN4O3 — CID 120850489

IUPACN-[3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]cyclopropanecarboxamide;hydrochloride
SMILESCl.NC1(c2noc(COc3cccc(NC(=O)C4CC4)c3)n2)CCCC1
InChIInChI=1S/C18H22N4O3.ClH/c19-18(8-1-2-9-18)17-21-15(25-22-17)11-24-14-5-3-4-13(10-14)20-16(23)12-6-7-12;/h3-5,10,12H,1-2,6-9,11,19H2,(H,20,23);1H
InChIKeyPPKMGGYANUZTIM-UHFFFAOYSA-N
MW378.86 g/mol
LogP3.15
Rot. Bonds6

About N-[3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]cyclopropanecarboxamide;hydrochloride

N-[3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]cyclopropanecarboxamide;hydrochloride (PubChem CID 120850489) has the molecular formula C18H23ClN4O3 and a molecular weight of 378.86 g/mol. Its IUPAC name is N-[3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]cyclopropanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]cyclopropanecarboxamide;hydrochloride
PubChem CID120850489
Molecular FormulaC18H23ClN4O3
Molecular Weight378.86 g/mol
Exact Mass378.15
IUPAC NameN-[3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]cyclopropanecarboxamide;hydrochloride
SMILESCl.NC1(c2noc(COc3cccc(NC(=O)C4CC4)c3)n2)CCCC1
InChIInChI=1S/C18H22N4O3.ClH/c19-18(8-1-2-9-18)17-21-15(25-22-17)11-24-14-5-3-4-13(10-14)20-16(23)12-6-7-12;/h3-5,10,12H,1-2,6-9,11,19H2,(H,20,23);1H
InChIKeyPPKMGGYANUZTIM-UHFFFAOYSA-N
XLogP3.15
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]cyclopropanecarboxamide;hydrochloride with MolForge

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Related Compounds

1-[5-[(3-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 62229473
1-[5-[(3-nitrophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854893
N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]cyclopropanecarboxamide
CID 120863866
4-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenol;hydrochloride
CID 120854814
1-[5-[(4-phenylmethoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854824
[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-phenylmethanone
CID 120860952
1-[5-[(3-chloro-2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851731
1-[5-[(4-tert-butylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853869
1-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859393
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
1-amino-N-[3-(cyclopropanecarbonylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119710445
N-[3-(2-aminoethoxy)phenyl]cyclooctanecarboxamide
CID 65019096

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]cyclopropanecarboxamide;hydrochloride?
The IUPAC name of N-[3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]cyclopropanecarboxamide;hydrochloride (CID 120850489) is N-[3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]cyclopropanecarboxamide;hydrochloride.
What is the SMILES notation for N-[3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]cyclopropanecarboxamide;hydrochloride?
The canonical SMILES for N-[3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]cyclopropanecarboxamide;hydrochloride is Cl.NC1(c2noc(COc3cccc(NC(=O)C4CC4)c3)n2)CCCC1.
What is the InChIKey of N-[3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]cyclopropanecarboxamide;hydrochloride?
The InChIKey is PPKMGGYANUZTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3.ClH/c19-18(8-1-2-9-18)17-21-15(25-22-17)11-24-14-5-3-4-13(10-14)20-16(23)12-6-7-12;/h3-5,10,12H,1-2,6-9,11,19H2,(H,20,23);1H.
What are the key properties of N-[3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]cyclopropanecarboxamide;hydrochloride?
N-[3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]cyclopropanecarboxamide;hydrochloride has a molecular weight of 378.86 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 120850489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).