N-methyl-5-(morpholin-4-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide

C16H21N3O3S — CID 95216265

IUPACN-methyl-5-(morpholin-4-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide
SMILESC[C@H](c1cccs1)N(C)C(=O)c1cc(CN2CCOCC2)on1
InChIInChI=1S/C16H21N3O3S/c1-12(15-4-3-9-23-15)18(2)16(20)14-10-13(22-17-14)11-19-5-7-21-8-6-19/h3-4,9-10,12H,5-8,11H2,1-2H3/t12-/m1/s1
InChIKeyJXSVWTLVGYMLJJ-GFCCVEGCSA-N
MW335.43 g/mol
LogP2.40
Rot. Bonds5

About N-methyl-5-(morpholin-4-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide

N-methyl-5-(morpholin-4-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide (PubChem CID 95216265) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-methyl-5-(morpholin-4-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(morpholin-4-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide
PubChem CID95216265
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-methyl-5-(morpholin-4-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide
SMILESC[C@H](c1cccs1)N(C)C(=O)c1cc(CN2CCOCC2)on1
InChIInChI=1S/C16H21N3O3S/c1-12(15-4-3-9-23-15)18(2)16(20)14-10-13(22-17-14)11-19-5-7-21-8-6-19/h3-4,9-10,12H,5-8,11H2,1-2H3/t12-/m1/s1
InChIKeyJXSVWTLVGYMLJJ-GFCCVEGCSA-N
XLogP2.40
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-(1-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 115575769
[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 56715974
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 95189063
N-methyl-5-(morpholin-4-ylmethyl)-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 56758608
N-methyl-N-[(4-methylphenyl)methyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56741639
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56712236
N,4-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 172656685
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 56746235
N-[1-(2-hydroxyphenyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56754888
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56706921
N-methyl-4-(pyrrolidin-1-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 97021387
5-(morpholin-4-ylmethyl)-N-[(1R)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 92725034

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(morpholin-4-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-methyl-5-(morpholin-4-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide (CID 95216265) is N-methyl-5-(morpholin-4-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-(morpholin-4-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-methyl-5-(morpholin-4-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide is C[C@H](c1cccs1)N(C)C(=O)c1cc(CN2CCOCC2)on1.
What is the InChIKey of N-methyl-5-(morpholin-4-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is JXSVWTLVGYMLJJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-12(15-4-3-9-23-15)18(2)16(20)14-10-13(22-17-14)11-19-5-7-21-8-6-19/h3-4,9-10,12H,5-8,11H2,1-2H3/t12-/m1/s1.
What are the key properties of N-methyl-5-(morpholin-4-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide?
N-methyl-5-(morpholin-4-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(morpholin-4-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95216265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).