[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-2-yl]methanamine

C14H17ClN4O2 — CID 114398805

IUPAC[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-2-yl]methanamine
SMILESNCC1CN(Cc2nnc(-c3ccc(Cl)cc3)o2)CCO1
InChIInChI=1S/C14H17ClN4O2/c15-11-3-1-10(2-4-11)14-18-17-13(21-14)9-19-5-6-20-12(7-16)8-19/h1-4,12H,5-9,16H2
InChIKeyMGSABXPZSQMSDL-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.55
Rot. Bonds4

About [4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-2-yl]methanamine

[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-2-yl]methanamine (PubChem CID 114398805) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is [4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-2-yl]methanamine
PubChem CID114398805
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-2-yl]methanamine
SMILESNCC1CN(Cc2nnc(-c3ccc(Cl)cc3)o2)CCO1
InChIInChI=1S/C14H17ClN4O2/c15-11-3-1-10(2-4-11)14-18-17-13(21-14)9-19-5-6-20-12(7-16)8-19/h1-4,12H,5-9,16H2
InChIKeyMGSABXPZSQMSDL-UHFFFAOYSA-N
XLogP1.55
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-2-yl]methanamine with MolForge

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Related Compounds

(2R,6R)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine
CID 31476823
[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol
CID 60642415
[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methanamine
CID 114398947
(2S)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95279128
(2S)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95610072
[4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 114393379
2-(4-chlorophenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 8541889
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 10308229
[(2R)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 11346392
2-(4-chlorophenyl)-5-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 9256962
(4-benzylmorpholin-2-yl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 55479477
[4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844387

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-2-yl]methanamine (CID 114398805) is [4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-2-yl]methanamine is NCC1CN(Cc2nnc(-c3ccc(Cl)cc3)o2)CCO1.
What is the InChIKey of [4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-2-yl]methanamine?
The InChIKey is MGSABXPZSQMSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c15-11-3-1-10(2-4-11)14-18-17-13(21-14)9-19-5-6-20-12(7-16)8-19/h1-4,12H,5-9,16H2.
What are the key properties of [4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-2-yl]methanamine?
[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-2-yl]methanamine has a molecular weight of 308.77 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 114398805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).