N-(cyanomethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide

C7H9N3O3 — CID 130751777

IUPACN-(cyanomethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCN(CC#N)C(=O)C1COC(=O)N1
InChIInChI=1S/C7H9N3O3/c1-10(3-2-8)6(11)5-4-13-7(12)9-5/h5H,3-4H2,1H3,(H,9,12)
InChIKeyQTEXVECQCOUIPX-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.92
Rot. Bonds2

About N-(cyanomethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide

N-(cyanomethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 130751777) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is N-(cyanomethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID130751777
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC NameN-(cyanomethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCN(CC#N)C(=O)C1COC(=O)N1
InChIInChI=1S/C7H9N3O3/c1-10(3-2-8)6(11)5-4-13-7(12)9-5/h5H,3-4H2,1H3,(H,9,12)
InChIKeyQTEXVECQCOUIPX-UHFFFAOYSA-N
XLogP-0.92
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R)-N-ethyl-N-hydroxy-2-oxo-1,3-oxazolidine-4-carboxamide
CID 118484738
2-Oxo-1,3-oxazolidine-4-carboxamide
CID 14524248
N-(1-fluoropropan-2-yl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 130621492
N-(2,2-difluoroethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 130678353
(4S)-N-(2-Nitrooxyethyl)-2-oxooxazolidine-4-carboxamide
CID 15227784
2-Methyl-1,3-oxazolidine-4-carboxamide
CID 18505112
2-[(2-Oxo-1,3-oxazolidine-4-carbonyl)amino]ethyl nitrate
CID 18961031
tert-butyl N-[3-(2-aminoethoxy)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate
CID 22732113
(4S)-4-(morpholin-4-ylcarbonyl)-1,3-oxazolidin-2-one
CID 25054430
(4S)-4-(piperidine-1-carbonyl)-1,3-oxazolidin-2-one
CID 25054431
(4R)-N-(2-Nitrooxyethyl)-2-oxooxazolidine-4-carboxamide
CID 54095541
methyl N-[(2R,3S)-3-methoxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate
CID 68233876

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of N-(cyanomethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide (CID 130751777) is N-(cyanomethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for N-(cyanomethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide is CN(CC#N)C(=O)C1COC(=O)N1.
What is the InChIKey of N-(cyanomethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is QTEXVECQCOUIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-10(3-2-8)6(11)5-4-13-7(12)9-5/h5H,3-4H2,1H3,(H,9,12).
What are the key properties of N-(cyanomethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide?
N-(cyanomethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 183.17 g/mol, XLogP of -0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 130751777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).