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

C16H20ClN3O2 — CID 95757956

IUPACN-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
SMILESCN1CCO[C@@H](CNCc2cc(-c3ccc(Cl)cc3)no2)C1
InChIInChI=1S/C16H20ClN3O2/c1-20-6-7-21-15(11-20)10-18-9-14-8-16(19-22-14)12-2-4-13(17)5-3-12/h2-5,8,15,18H,6-7,9-11H2,1H3/t15-/m0/s1
InChIKeyGXQHMSKNXJKKRX-HNNXBMFYSA-N
MW321.81 g/mol
LogP2.42
Rot. Bonds5

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

N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine (PubChem CID 95757956) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
PubChem CID95757956
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC NameN-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
SMILESCN1CCO[C@@H](CNCc2cc(-c3ccc(Cl)cc3)no2)C1
InChIInChI=1S/C16H20ClN3O2/c1-20-6-7-21-15(11-20)10-18-9-14-8-16(19-22-14)12-2-4-13(17)5-3-12/h2-5,8,15,18H,6-7,9-11H2,1H3/t15-/m0/s1
InChIKeyGXQHMSKNXJKKRX-HNNXBMFYSA-N
XLogP2.42
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[(5-chlorofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943077
N-[(4,5-dibromofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 79083326
N-[(5-bromo-2-fluorophenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95277799
1-(4-methylmorpholin-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 78945276
N-[(5-chlorothiophen-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
CID 95598780
[5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-yl]methanol
CID 79032869
1-(4-methylmorpholin-2-yl)-N-[(5-phenylfuran-2-yl)methyl]methanamine
CID 119123106
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95300913
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95758011
N-[(5-bromothiophen-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95159793
3-methyl-5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 103255451
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 79032915

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine?
The IUPAC name of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine (CID 95757956) is N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine is CN1CCO[C@@H](CNCc2cc(-c3ccc(Cl)cc3)no2)C1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine?
The InChIKey is GXQHMSKNXJKKRX-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-20-6-7-21-15(11-20)10-18-9-14-8-16(19-22-14)12-2-4-13(17)5-3-12/h2-5,8,15,18H,6-7,9-11H2,1H3/t15-/m0/s1.
What are the key properties of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine?
N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine has a molecular weight of 321.81 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine is sourced from PubChem (CID 95757956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).