5-cyclopropyl-1,2-oxazole-4-carbonitrile

C7H6N2O — CID 175901219

IUPAC5-cyclopropyl-1,2-oxazole-4-carbonitrile
SMILESN#Cc1cnoc1C1CC1
InChIInChI=1S/C7H6N2O/c8-3-6-4-9-10-7(6)5-1-2-5/h4-5H,1-2H2
InChIKeySONHYGOPBHVBOK-UHFFFAOYSA-N
MW134.14 g/mol
LogP1.42
Rot. Bonds1

About 5-cyclopropyl-1,2-oxazole-4-carbonitrile

5-cyclopropyl-1,2-oxazole-4-carbonitrile (PubChem CID 175901219) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 5-cyclopropyl-1,2-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-cyclopropyl-1,2-oxazole-4-carbonitrile
PubChem CID175901219
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name5-cyclopropyl-1,2-oxazole-4-carbonitrile
SMILESN#Cc1cnoc1C1CC1
InChIInChI=1S/C7H6N2O/c8-3-6-4-9-10-7(6)5-1-2-5/h4-5H,1-2H2
InChIKeySONHYGOPBHVBOK-UHFFFAOYSA-N
XLogP1.42
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1,2-oxazole-4-carbonitrile?
The IUPAC name of 5-cyclopropyl-1,2-oxazole-4-carbonitrile (CID 175901219) is 5-cyclopropyl-1,2-oxazole-4-carbonitrile.
What is the SMILES notation for 5-cyclopropyl-1,2-oxazole-4-carbonitrile?
The canonical SMILES for 5-cyclopropyl-1,2-oxazole-4-carbonitrile is N#Cc1cnoc1C1CC1.
What is the InChIKey of 5-cyclopropyl-1,2-oxazole-4-carbonitrile?
The InChIKey is SONHYGOPBHVBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c8-3-6-4-9-10-7(6)5-1-2-5/h4-5H,1-2H2.
What are the key properties of 5-cyclopropyl-1,2-oxazole-4-carbonitrile?
5-cyclopropyl-1,2-oxazole-4-carbonitrile has a molecular weight of 134.14 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1,2-oxazole-4-carbonitrile is sourced from PubChem (CID 175901219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).