(3-methyl-1,3-oxazolidin-2-ylidene)cyanamide

C5H7N3O — CID 641538

IUPAC(3-methyl-1,3-oxazolidin-2-ylidene)cyanamide
SMILESCN1CCO/C1=N\C#N
InChIInChI=1S/C5H7N3O/c1-8-2-3-9-5(8)7-4-6/h2-3H2,1H3/b7-5-
InChIKeyRKJISTFLGTVDHY-ALCCZGGFSA-N
MW125.13 g/mol
LogP-0.21
Rot. Bonds

About (3-methyl-1,3-oxazolidin-2-ylidene)cyanamide

(3-methyl-1,3-oxazolidin-2-ylidene)cyanamide (PubChem CID 641538) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is (3-methyl-1,3-oxazolidin-2-ylidene)cyanamide.

Molecular Properties

Compound Name(3-methyl-1,3-oxazolidin-2-ylidene)cyanamide
PubChem CID641538
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name(3-methyl-1,3-oxazolidin-2-ylidene)cyanamide
SMILESCN1CCO/C1=N\C#N
InChIInChI=1S/C5H7N3O/c1-8-2-3-9-5(8)7-4-6/h2-3H2,1H3/b7-5-
InChIKeyRKJISTFLGTVDHY-ALCCZGGFSA-N
XLogP-0.21
TPSA48.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,3-oxazolidin-2-ylidene)cyanamide?
The IUPAC name of (3-methyl-1,3-oxazolidin-2-ylidene)cyanamide (CID 641538) is (3-methyl-1,3-oxazolidin-2-ylidene)cyanamide.
What is the SMILES notation for (3-methyl-1,3-oxazolidin-2-ylidene)cyanamide?
The canonical SMILES for (3-methyl-1,3-oxazolidin-2-ylidene)cyanamide is CN1CCO/C1=N\C#N.
What is the InChIKey of (3-methyl-1,3-oxazolidin-2-ylidene)cyanamide?
The InChIKey is RKJISTFLGTVDHY-ALCCZGGFSA-N. The full InChI is InChI=1S/C5H7N3O/c1-8-2-3-9-5(8)7-4-6/h2-3H2,1H3/b7-5-.
What are the key properties of (3-methyl-1,3-oxazolidin-2-ylidene)cyanamide?
(3-methyl-1,3-oxazolidin-2-ylidene)cyanamide has a molecular weight of 125.13 g/mol, XLogP of -0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,3-oxazolidin-2-ylidene)cyanamide is sourced from PubChem (CID 641538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).