2-(methylamino)-1,3-oxazole-5-carbonitrile

C5H5N3O — CID 131440620

IUPAC2-(methylamino)-1,3-oxazole-5-carbonitrile
SMILESCNc1ncc(C#N)o1
InChIInChI=1S/C5H5N3O/c1-7-5-8-3-4(2-6)9-5/h3H,1H3,(H,7,8)
InChIKeyWWTXZWMRUQBCQB-UHFFFAOYSA-N
MW123.11 g/mol
LogP0.59
Rot. Bonds1

About 2-(methylamino)-1,3-oxazole-5-carbonitrile

2-(methylamino)-1,3-oxazole-5-carbonitrile (PubChem CID 131440620) has the molecular formula C5H5N3O and a molecular weight of 123.11 g/mol. Its IUPAC name is 2-(methylamino)-1,3-oxazole-5-carbonitrile.

Molecular Properties

Compound Name2-(methylamino)-1,3-oxazole-5-carbonitrile
PubChem CID131440620
Molecular FormulaC5H5N3O
Molecular Weight123.11 g/mol
Exact Mass123.04
IUPAC Name2-(methylamino)-1,3-oxazole-5-carbonitrile
SMILESCNc1ncc(C#N)o1
InChIInChI=1S/C5H5N3O/c1-7-5-8-3-4(2-6)9-5/h3H,1H3,(H,7,8)
InChIKeyWWTXZWMRUQBCQB-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1,3-oxazole-5-carbonitrile?
The IUPAC name of 2-(methylamino)-1,3-oxazole-5-carbonitrile (CID 131440620) is 2-(methylamino)-1,3-oxazole-5-carbonitrile.
What is the SMILES notation for 2-(methylamino)-1,3-oxazole-5-carbonitrile?
The canonical SMILES for 2-(methylamino)-1,3-oxazole-5-carbonitrile is CNc1ncc(C#N)o1.
What is the InChIKey of 2-(methylamino)-1,3-oxazole-5-carbonitrile?
The InChIKey is WWTXZWMRUQBCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O/c1-7-5-8-3-4(2-6)9-5/h3H,1H3,(H,7,8).
What are the key properties of 2-(methylamino)-1,3-oxazole-5-carbonitrile?
2-(methylamino)-1,3-oxazole-5-carbonitrile has a molecular weight of 123.11 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1,3-oxazole-5-carbonitrile is sourced from PubChem (CID 131440620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).