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

C4H4N2O — CID 173485560

IUPAC2,3-dihydro-1,3-oxazole-5-carbonitrile
SMILESN#CC1=CNCO1
InChIInChI=1S/C4H4N2O/c5-1-4-2-6-3-7-4/h2,6H,3H2
InChIKeyZRVGCRMWSQWYFQ-UHFFFAOYSA-N
MW96.09 g/mol
LogP-0.07
Rot. Bonds

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

2,3-dihydro-1,3-oxazole-5-carbonitrile (PubChem CID 173485560) has the molecular formula C4H4N2O and a molecular weight of 96.09 g/mol. Its IUPAC name is 2,3-dihydro-1,3-oxazole-5-carbonitrile.

Molecular Properties

Compound Name2,3-dihydro-1,3-oxazole-5-carbonitrile
PubChem CID173485560
Molecular FormulaC4H4N2O
Molecular Weight96.09 g/mol
Exact Mass96.03
IUPAC Name2,3-dihydro-1,3-oxazole-5-carbonitrile
SMILESN#CC1=CNCO1
InChIInChI=1S/C4H4N2O/c5-1-4-2-6-3-7-4/h2,6H,3H2
InChIKeyZRVGCRMWSQWYFQ-UHFFFAOYSA-N
XLogP-0.07
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.09
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,3-oxazole-5-carbonitrile?
The IUPAC name of 2,3-dihydro-1,3-oxazole-5-carbonitrile (CID 173485560) is 2,3-dihydro-1,3-oxazole-5-carbonitrile.
What is the SMILES notation for 2,3-dihydro-1,3-oxazole-5-carbonitrile?
The canonical SMILES for 2,3-dihydro-1,3-oxazole-5-carbonitrile is N#CC1=CNCO1.
What is the InChIKey of 2,3-dihydro-1,3-oxazole-5-carbonitrile?
The InChIKey is ZRVGCRMWSQWYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O/c5-1-4-2-6-3-7-4/h2,6H,3H2.
What are the key properties of 2,3-dihydro-1,3-oxazole-5-carbonitrile?
2,3-dihydro-1,3-oxazole-5-carbonitrile has a molecular weight of 96.09 g/mol, XLogP of -0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,3-oxazole-5-carbonitrile is sourced from PubChem (CID 173485560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).