2-propyl-1,3-oxazole-4-carbonitrile

C7H8N2O — CID 91647696

IUPAC2-propyl-1,3-oxazole-4-carbonitrile
SMILESCCCc1nc(C#N)co1
InChIInChI=1S/C7H8N2O/c1-2-3-7-9-6(4-8)5-10-7/h5H,2-3H2,1H3
InChIKeyCRJQNFHYXCSHEW-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.50
Rot. Bonds2

About 2-propyl-1,3-oxazole-4-carbonitrile

2-propyl-1,3-oxazole-4-carbonitrile (PubChem CID 91647696) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 2-propyl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-propyl-1,3-oxazole-4-carbonitrile
PubChem CID91647696
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name2-propyl-1,3-oxazole-4-carbonitrile
SMILESCCCc1nc(C#N)co1
InChIInChI=1S/C7H8N2O/c1-2-3-7-9-6(4-8)5-10-7/h5H,2-3H2,1H3
InChIKeyCRJQNFHYXCSHEW-UHFFFAOYSA-N
XLogP1.50
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-propyl-1,3-oxazole-4-carbonitrile (CID 91647696) is 2-propyl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-propyl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-propyl-1,3-oxazole-4-carbonitrile is CCCc1nc(C#N)co1.
What is the InChIKey of 2-propyl-1,3-oxazole-4-carbonitrile?
The InChIKey is CRJQNFHYXCSHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-2-3-7-9-6(4-8)5-10-7/h5H,2-3H2,1H3.
What are the key properties of 2-propyl-1,3-oxazole-4-carbonitrile?
2-propyl-1,3-oxazole-4-carbonitrile has a molecular weight of 136.15 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 91647696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).