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

C7H9N3O — CID 130627505

IUPACmethyl-[(5-methyl-1,3-oxazol-2-yl)methyl]cyanamide
SMILESCc1cnc(CN(C)C#N)o1
InChIInChI=1S/C7H9N3O/c1-6-3-9-7(11-6)4-10(2)5-8/h3H,4H2,1-2H3
InChIKeyNBHGNQWUWYABJT-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.90
Rot. Bonds2

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

methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]cyanamide (PubChem CID 130627505) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]cyanamide.

Molecular Properties

Compound Namemethyl-[(5-methyl-1,3-oxazol-2-yl)methyl]cyanamide
PubChem CID130627505
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Namemethyl-[(5-methyl-1,3-oxazol-2-yl)methyl]cyanamide
SMILESCc1cnc(CN(C)C#N)o1
InChIInChI=1S/C7H9N3O/c1-6-3-9-7(11-6)4-10(2)5-8/h3H,4H2,1-2H3
InChIKeyNBHGNQWUWYABJT-UHFFFAOYSA-N
XLogP0.90
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.90
H-Bond Donors ≤ 50
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 methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]cyanamide?
The IUPAC name of methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]cyanamide (CID 130627505) is methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]cyanamide.
What is the SMILES notation for methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]cyanamide?
The canonical SMILES for methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]cyanamide is Cc1cnc(CN(C)C#N)o1.
What is the InChIKey of methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]cyanamide?
The InChIKey is NBHGNQWUWYABJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-6-3-9-7(11-6)4-10(2)5-8/h3H,4H2,1-2H3.
What are the key properties of methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]cyanamide?
methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]cyanamide has a molecular weight of 151.17 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]cyanamide is sourced from PubChem (CID 130627505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).