5-methyl-2,3-dihydro-1,3-oxazole-2-carbonitrile

C5H6N2O — CID 163918293

IUPAC5-methyl-2,3-dihydro-1,3-oxazole-2-carbonitrile
SMILESCC1=CNC(C#N)O1
InChIInChI=1S/C5H6N2O/c1-4-3-7-5(2-6)8-4/h3,5,7H,1H3
InChIKeyQYEYZUQRQFPWDQ-UHFFFAOYSA-N
MW110.12 g/mol
LogP0.32
Rot. Bonds

About 5-methyl-2,3-dihydro-1,3-oxazole-2-carbonitrile

5-methyl-2,3-dihydro-1,3-oxazole-2-carbonitrile (PubChem CID 163918293) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is 5-methyl-2,3-dihydro-1,3-oxazole-2-carbonitrile.

Molecular Properties

Compound Name5-methyl-2,3-dihydro-1,3-oxazole-2-carbonitrile
PubChem CID163918293
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC Name5-methyl-2,3-dihydro-1,3-oxazole-2-carbonitrile
SMILESCC1=CNC(C#N)O1
InChIInChI=1S/C5H6N2O/c1-4-3-7-5(2-6)8-4/h3,5,7H,1H3
InChIKeyQYEYZUQRQFPWDQ-UHFFFAOYSA-N
XLogP0.32
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-dihydro-1,3-oxazole-2-carbonitrile?
The IUPAC name of 5-methyl-2,3-dihydro-1,3-oxazole-2-carbonitrile (CID 163918293) is 5-methyl-2,3-dihydro-1,3-oxazole-2-carbonitrile.
What is the SMILES notation for 5-methyl-2,3-dihydro-1,3-oxazole-2-carbonitrile?
The canonical SMILES for 5-methyl-2,3-dihydro-1,3-oxazole-2-carbonitrile is CC1=CNC(C#N)O1.
What is the InChIKey of 5-methyl-2,3-dihydro-1,3-oxazole-2-carbonitrile?
The InChIKey is QYEYZUQRQFPWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O/c1-4-3-7-5(2-6)8-4/h3,5,7H,1H3.
What are the key properties of 5-methyl-2,3-dihydro-1,3-oxazole-2-carbonitrile?
5-methyl-2,3-dihydro-1,3-oxazole-2-carbonitrile has a molecular weight of 110.12 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dihydro-1,3-oxazole-2-carbonitrile is sourced from PubChem (CID 163918293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).