N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride

C11H18ClN3O3 — CID 119753263

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride
SMILESCc1noc(C)c1CNC(=O)C1CNCCO1.Cl
InChIInChI=1S/C11H17N3O3.ClH/c1-7-9(8(2)17-14-7)5-13-11(15)10-6-12-3-4-16-10;/h10,12H,3-6H2,1-2H3,(H,13,15);1H
InChIKeyJMLWNDQVMHVZON-UHFFFAOYSA-N
MW275.74 g/mol
LogP0.32
Rot. Bonds3

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119753263) has the molecular formula C11H18ClN3O3 and a molecular weight of 275.74 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119753263
Molecular FormulaC11H18ClN3O3
Molecular Weight275.74 g/mol
Exact Mass275.10
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride
SMILESCc1noc(C)c1CNC(=O)C1CNCCO1.Cl
InChIInChI=1S/C11H17N3O3.ClH/c1-7-9(8(2)17-14-7)5-13-11(15)10-6-12-3-4-16-10;/h10,12H,3-6H2,1-2H3,(H,13,15);1H
InChIKeyJMLWNDQVMHVZON-UHFFFAOYSA-N
XLogP0.32
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 ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-morpholin-2-ylacetamide
CID 79236981
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-2-carboxamide
CID 103811683
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119694438
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]morpholine-2-carboxamide
CID 106416037
(2S)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]morpholine-2-carboxamide
CID 125441092
N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide;dihydrochloride
CID 119858588
(2S)-N-[(3-methyl-2-pyridinyl)methyl]morpholine-2-carboxamide
CID 92632288
(2R)-N-(azetidin-3-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 130702713
N-[[4-(methoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119718146
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxocyclohexane-1-carboxamide
CID 112528606
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]oxolane-2-carboxamide
CID 110646239
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 79231898

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride (CID 119753263) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride is Cc1noc(C)c1CNC(=O)C1CNCCO1.Cl.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is JMLWNDQVMHVZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3.ClH/c1-7-9(8(2)17-14-7)5-13-11(15)10-6-12-3-4-16-10;/h10,12H,3-6H2,1-2H3,(H,13,15);1H.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 275.74 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119753263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).