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

C15H19ClN4O2 — CID 95319473

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
SMILESCN1CCO[C@H](CNCc2nnc(-c3ccccc3Cl)o2)C1
InChIInChI=1S/C15H19ClN4O2/c1-20-6-7-21-11(10-20)8-17-9-14-18-19-15(22-14)12-4-2-3-5-13(12)16/h2-5,11,17H,6-10H2,1H3/t11-/m1/s1
InChIKeyMBHXDGLJSFJFFR-LLVKDONJSA-N
MW322.80 g/mol
LogP1.81
Rot. Bonds5

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

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine (PubChem CID 95319473) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
PubChem CID95319473
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
SMILESCN1CCO[C@H](CNCc2nnc(-c3ccccc3Cl)o2)C1
InChIInChI=1S/C15H19ClN4O2/c1-20-6-7-21-11(10-20)8-17-9-14-18-19-15(22-14)12-4-2-3-5-13(12)16/h2-5,11,17H,6-10H2,1H3/t11-/m1/s1
InChIKeyMBHXDGLJSFJFFR-LLVKDONJSA-N
XLogP1.81
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
CID 95598780
N-[(5-chlorofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943077
N-[(2-fluorophenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 124542983
N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
CID 95159798
2-(2-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 49093905
1-(4-methylmorpholin-2-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 167846857
1-(4-methylmorpholin-2-yl)-N-[(5-phenylfuran-2-yl)methyl]methanamine
CID 119123106
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxypropan-1-amine
CID 110652114
1-(4-methylmorpholin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
CID 78967537
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 79032915
N-(2,6-dichlorophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
CID 78960893
N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
CID 95757956

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine (CID 95319473) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine is CN1CCO[C@H](CNCc2nnc(-c3ccccc3Cl)o2)C1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine?
The InChIKey is MBHXDGLJSFJFFR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-20-6-7-21-11(10-20)8-17-9-14-18-19-15(22-14)12-4-2-3-5-13(12)16/h2-5,11,17H,6-10H2,1H3/t11-/m1/s1.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine has a molecular weight of 322.80 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine is sourced from PubChem (CID 95319473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).