(2R,6R)-2,6-dimethyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine-4-carboxamide

C15H19N3O3S — CID 40876316

IUPAC(2R,6R)-2,6-dimethyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)NCc2coc(-c3cccs3)n2)C[C@@H](C)O1
InChIInChI=1S/C15H19N3O3S/c1-10-7-18(8-11(2)21-10)15(19)16-6-12-9-20-14(17-12)13-4-3-5-22-13/h3-5,9-11H,6-8H2,1-2H3,(H,16,19)/t10-,11-/m1/s1
InChIKeyOVXRTNREWNMZDO-GHMZBOCLSA-N
MW321.40 g/mol
LogP2.72
Rot. Bonds3

About (2R,6R)-2,6-dimethyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine-4-carboxamide

(2R,6R)-2,6-dimethyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine-4-carboxamide (PubChem CID 40876316) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine-4-carboxamide
PubChem CID40876316
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name(2R,6R)-2,6-dimethyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)NCc2coc(-c3cccs3)n2)C[C@@H](C)O1
InChIInChI=1S/C15H19N3O3S/c1-10-7-18(8-11(2)21-10)15(19)16-6-12-9-20-14(17-12)13-4-3-5-22-13/h3-5,9-11H,6-8H2,1-2H3,(H,16,19)/t10-,11-/m1/s1
InChIKeyOVXRTNREWNMZDO-GHMZBOCLSA-N
XLogP2.72
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,6R)-2,6-dimethyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 119698090
4-(4-methylphenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,4-diazepane-1-carboxamide
CID 99812567
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119698089
N',4-dimethyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide
CID 111210817
1-(2-methylcyclohexyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea
CID 42930050
N',3-dimethyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111144851
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2,6-dimethylmorpholine-4-carboxamide
CID 131960865
2-methyl-1-(2-methylcyclopropyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine
CID 111960945
2-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]propanoic acid
CID 116684356
tert-butyl 3-[[N'-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]carbamimidoyl]amino]azetidine-1-carboxylate;hydroiodide
CID 109466143
2-(2-methoxyethylamino)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride
CID 119698131
2-ethyl-N'-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thiomorpholine-4-carboximidamide
CID 109484640

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of (2R,6R)-2,6-dimethyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine-4-carboxamide (CID 40876316) is (2R,6R)-2,6-dimethyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for (2R,6R)-2,6-dimethyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for (2R,6R)-2,6-dimethyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine-4-carboxamide is C[C@@H]1CN(C(=O)NCc2coc(-c3cccs3)n2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-2,6-dimethyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine-4-carboxamide?
The InChIKey is OVXRTNREWNMZDO-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-10-7-18(8-11(2)21-10)15(19)16-6-12-9-20-14(17-12)13-4-3-5-22-13/h3-5,9-11H,6-8H2,1-2H3,(H,16,19)/t10-,11-/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine-4-carboxamide?
(2R,6R)-2,6-dimethyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine-4-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 40876316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).