(2R,3S)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-3-carboxamide;hydrochloride

C11H18ClN3O3 — CID 120928446

IUPAC(2R,3S)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-3-carboxamide;hydrochloride
SMILESCc1cc(CNC(=O)[C@H]2NCCO[C@@H]2C)on1.Cl
InChIInChI=1S/C11H17N3O3.ClH/c1-7-5-9(17-14-7)6-13-11(15)10-8(2)16-4-3-12-10;/h5,8,10,12H,3-4,6H2,1-2H3,(H,13,15);1H/t8-,10+;/m1./s1
InChIKeyDFXUQGILPQMDGD-SCYNACPDSA-N
MW275.74 g/mol
LogP0.40
Rot. Bonds3

About (2R,3S)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-3-carboxamide;hydrochloride

(2R,3S)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 120928446) has the molecular formula C11H18ClN3O3 and a molecular weight of 275.74 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-3-carboxamide;hydrochloride
PubChem CID120928446
Molecular FormulaC11H18ClN3O3
Molecular Weight275.74 g/mol
Exact Mass275.10
IUPAC Name(2R,3S)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-3-carboxamide;hydrochloride
SMILESCc1cc(CNC(=O)[C@H]2NCCO[C@@H]2C)on1.Cl
InChIInChI=1S/C11H17N3O3.ClH/c1-7-5-9(17-14-7)6-13-11(15)10-8(2)16-4-3-12-10;/h5,8,10,12H,3-4,6H2,1-2H3,(H,13,15);1H/t8-,10+;/m1./s1
InChIKeyDFXUQGILPQMDGD-SCYNACPDSA-N
XLogP0.40
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-N-[(4-bromo-2,6-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120928973
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-N-[(2,4-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120923132
N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanecarboxamide
CID 53017058
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
(2R,3S)-N-[[2-(dimethylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120940688
(2R,3S)-2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]morpholine-3-carboxamide
CID 120926840
(2R,3S)-N-(isoquinolin-1-ylmethyl)-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120938479
(2R,3S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120931249
(4S)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 97014181
N-[(3-methyl-1,2-oxazol-5-yl)methyl]azepane-2-carboxamide
CID 64569142
(2R,3S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120933610

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-3-carboxamide;hydrochloride (CID 120928446) is (2R,3S)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-3-carboxamide;hydrochloride is Cc1cc(CNC(=O)[C@H]2NCCO[C@@H]2C)on1.Cl.
What is the InChIKey of (2R,3S)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is DFXUQGILPQMDGD-SCYNACPDSA-N. The full InChI is InChI=1S/C11H17N3O3.ClH/c1-7-5-9(17-14-7)6-13-11(15)10-8(2)16-4-3-12-10;/h5,8,10,12H,3-4,6H2,1-2H3,(H,13,15);1H/t8-,10+;/m1./s1.
What are the key properties of (2R,3S)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-3-carboxamide;hydrochloride?
(2R,3S)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 275.74 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120928446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).