(5-methyl-1,3-oxazol-2-yl)cyanamide

C5H5N3O — CID 119091426

IUPAC(5-methyl-1,3-oxazol-2-yl)cyanamide
SMILESCc1cnc(NC#N)o1
InChIInChI=1S/C5H5N3O/c1-4-2-7-5(9-4)8-3-6/h2H,1H3,(H,7,8)
InChIKeyJFRQLDXODRIMMF-UHFFFAOYSA-N
MW123.11 g/mol
LogP0.88
Rot. Bonds1

About (5-methyl-1,3-oxazol-2-yl)cyanamide

(5-methyl-1,3-oxazol-2-yl)cyanamide (PubChem CID 119091426) has the molecular formula C5H5N3O and a molecular weight of 123.11 g/mol. Its IUPAC name is (5-methyl-1,3-oxazol-2-yl)cyanamide.

Molecular Properties

Compound Name(5-methyl-1,3-oxazol-2-yl)cyanamide
PubChem CID119091426
Molecular FormulaC5H5N3O
Molecular Weight123.11 g/mol
Exact Mass123.04
IUPAC Name(5-methyl-1,3-oxazol-2-yl)cyanamide
SMILESCc1cnc(NC#N)o1
InChIInChI=1S/C5H5N3O/c1-4-2-7-5(9-4)8-3-6/h2H,1H3,(H,7,8)
InChIKeyJFRQLDXODRIMMF-UHFFFAOYSA-N
XLogP0.88
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3-oxazol-2-yl)cyanamide?
The IUPAC name of (5-methyl-1,3-oxazol-2-yl)cyanamide (CID 119091426) is (5-methyl-1,3-oxazol-2-yl)cyanamide.
What is the SMILES notation for (5-methyl-1,3-oxazol-2-yl)cyanamide?
The canonical SMILES for (5-methyl-1,3-oxazol-2-yl)cyanamide is Cc1cnc(NC#N)o1.
What is the InChIKey of (5-methyl-1,3-oxazol-2-yl)cyanamide?
The InChIKey is JFRQLDXODRIMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O/c1-4-2-7-5(9-4)8-3-6/h2H,1H3,(H,7,8).
What are the key properties of (5-methyl-1,3-oxazol-2-yl)cyanamide?
(5-methyl-1,3-oxazol-2-yl)cyanamide has a molecular weight of 123.11 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3-oxazol-2-yl)cyanamide is sourced from PubChem (CID 119091426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).