[3-[(dimethylamino)methyl]morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;formic acid

C13H21N3O5 — CID 71786025

IUPAC[3-[(dimethylamino)methyl]morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;formic acid
SMILESCc1cc(C(=O)N2CCOCC2CN(C)C)no1.O=CO
InChIInChI=1S/C12H19N3O3.CH2O2/c1-9-6-11(13-18-9)12(16)15-4-5-17-8-10(15)7-14(2)3;2-1-3/h6,10H,4-5,7-8H2,1-3H3;1H,(H,2,3)
InChIKeyCRPWGKNJCXXQHP-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.09
Rot. Bonds3

About [3-[(dimethylamino)methyl]morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;formic acid

[3-[(dimethylamino)methyl]morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;formic acid (PubChem CID 71786025) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;formic acid.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;formic acid
PubChem CID71786025
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Name[3-[(dimethylamino)methyl]morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;formic acid
SMILESCc1cc(C(=O)N2CCOCC2CN(C)C)no1.O=CO
InChIInChI=1S/C12H19N3O3.CH2O2/c1-9-6-11(13-18-9)12(16)15-4-5-17-8-10(15)7-14(2)3;2-1-3/h6,10H,4-5,7-8H2,1-3H3;1H,(H,2,3)
InChIKeyCRPWGKNJCXXQHP-UHFFFAOYSA-N
XLogP0.09
TPSA96.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2,4-dimethoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid
CID 71785900
(5-chloro-2-methoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid
CID 71785925
N-(3-methoxyphenyl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)morpholin-3-yl]acetamide
CID 56904398
1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone;formic acid
CID 71785945
(2,5-dimethylfuran-3-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid
CID 71786001
1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone;formic acid
CID 71785884
[3-[(dimethylamino)methyl]morpholin-4-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 71785859
(5-methyl-1,2-oxazol-3-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110114599
1-benzofuran-2-yl-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone
CID 97040394
formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-quinoxalin-2-ylmethanone
CID 71786023
[3-[(dimethylamino)methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone
CID 71786050
[2-(aminomethyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride
CID 119633410

Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;formic acid?
The IUPAC name of [3-[(dimethylamino)methyl]morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;formic acid (CID 71786025) is [3-[(dimethylamino)methyl]morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;formic acid.
What is the SMILES notation for [3-[(dimethylamino)methyl]morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;formic acid?
The canonical SMILES for [3-[(dimethylamino)methyl]morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;formic acid is Cc1cc(C(=O)N2CCOCC2CN(C)C)no1.O=CO.
What is the InChIKey of [3-[(dimethylamino)methyl]morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;formic acid?
The InChIKey is CRPWGKNJCXXQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3.CH2O2/c1-9-6-11(13-18-9)12(16)15-4-5-17-8-10(15)7-14(2)3;2-1-3/h6,10H,4-5,7-8H2,1-3H3;1H,(H,2,3).
What are the key properties of [3-[(dimethylamino)methyl]morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;formic acid?
[3-[(dimethylamino)methyl]morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;formic acid has a molecular weight of 299.33 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;formic acid is sourced from PubChem (CID 71786025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).