[4-[5-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride

C19H27ClN4O2 — CID 120892368

IUPAC[4-[5-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(-c2noc(CC3(N4CCOCC4)CCCC3)n2)cc1
InChIInChI=1S/C19H26N4O2.ClH/c20-14-15-3-5-16(6-4-15)18-21-17(25-22-18)13-19(7-1-2-8-19)23-9-11-24-12-10-23;/h3-6H,1-2,7-14,20H2;1H
InChIKeyATZRDTGRYZIMOC-UHFFFAOYSA-N
MW378.90 g/mol
LogP2.80
Rot. Bonds5

About [4-[5-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride

[4-[5-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride (PubChem CID 120892368) has the molecular formula C19H27ClN4O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is [4-[5-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[5-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
PubChem CID120892368
Molecular FormulaC19H27ClN4O2
Molecular Weight378.90 g/mol
Exact Mass378.18
IUPAC Name[4-[5-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(-c2noc(CC3(N4CCOCC4)CCCC3)n2)cc1
InChIInChI=1S/C19H26N4O2.ClH/c20-14-15-3-5-16(6-4-15)18-21-17(25-22-18)13-19(7-1-2-8-19)23-9-11-24-12-10-23;/h3-6H,1-2,7-14,20H2;1H
InChIKeyATZRDTGRYZIMOC-UHFFFAOYSA-N
XLogP2.80
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[5-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride with MolForge

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Related Compounds

[1-[[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine
CID 120840626
[4-[5-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
CID 120893278
1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile;hydrochloride
CID 120892726
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 64672034
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 64671445
2-[[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-piperidin-1-ylethanone;hydrochloride
CID 120892860
[4-[5-(2-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 66989058
[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117438451
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79845872
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1-morpholin-4-ylcyclopentyl)acetamide;dihydrochloride
CID 120566594
2-[2-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]aniline;hydrochloride
CID 120840655
[4-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 137133488

Frequently Asked Questions

What is the IUPAC name of [4-[5-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride?
The IUPAC name of [4-[5-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride (CID 120892368) is [4-[5-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-[5-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-[5-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride is Cl.NCc1ccc(-c2noc(CC3(N4CCOCC4)CCCC3)n2)cc1.
What is the InChIKey of [4-[5-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride?
The InChIKey is ATZRDTGRYZIMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2.ClH/c20-14-15-3-5-16(6-4-15)18-21-17(25-22-18)13-19(7-1-2-8-19)23-9-11-24-12-10-23;/h3-6H,1-2,7-14,20H2;1H.
What are the key properties of [4-[5-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride?
[4-[5-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 120892368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).