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

C19H21ClN4O2 — CID 120893278

IUPAC[4-[5-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(-c2noc(-c3ccc(N4CCOCC4)cc3)n2)cc1
InChIInChI=1S/C19H20N4O2.ClH/c20-13-14-1-3-15(4-2-14)18-21-19(25-22-18)16-5-7-17(8-6-16)23-9-11-24-12-10-23;/h1-8H,9-13,20H2;1H
InChIKeyKTQYIXGMWOEFEG-UHFFFAOYSA-N
MW372.86 g/mol
LogP3.12
Rot. Bonds4

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

[4-[5-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride (PubChem CID 120893278) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is [4-[5-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[5-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
PubChem CID120893278
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name[4-[5-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(-c2noc(-c3ccc(N4CCOCC4)cc3)n2)cc1
InChIInChI=1S/C19H20N4O2.ClH/c20-13-14-1-3-15(4-2-14)18-21-19(25-22-18)16-5-7-17(8-6-16)23-9-11-24-12-10-23;/h1-8H,9-13,20H2;1H
InChIKeyKTQYIXGMWOEFEG-UHFFFAOYSA-N
XLogP3.12
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]morpholine
CID 50769427
[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 28527543
N,N-dimethyl-3-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 50769624
4-[4-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]morpholine
CID 50769553
3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 154784421
[4-[5-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
CID 120892368
[4-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine
CID 120840636
[4-[5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
CID 120892380
[4-[5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 120892509
[4-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 137133488
ethane;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 143910207
[4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 62716479

Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride?
The IUPAC name of [4-[5-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride (CID 120893278) is [4-[5-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-[5-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-[5-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride is Cl.NCc1ccc(-c2noc(-c3ccc(N4CCOCC4)cc3)n2)cc1.
What is the InChIKey of [4-[5-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride?
The InChIKey is KTQYIXGMWOEFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2.ClH/c20-13-14-1-3-15(4-2-14)18-21-19(25-22-18)16-5-7-17(8-6-16)23-9-11-24-12-10-23;/h1-8H,9-13,20H2;1H.
What are the key properties of [4-[5-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride?
[4-[5-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride has a molecular weight of 372.86 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 120893278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).