3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile

C7H10N2O — CID 15315218

IUPAC3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile
SMILESCCCC1=NOC(C#N)C1
InChIInChI=1S/C7H10N2O/c1-2-3-6-4-7(5-8)10-9-6/h7H,2-4H2,1H3
InChIKeyMPESYEXRHUVKHQ-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.45
Rot. Bonds2

About 3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile

3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile (PubChem CID 15315218) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile.

Molecular Properties

Compound Name3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile
PubChem CID15315218
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile
SMILESCCCC1=NOC(C#N)C1
InChIInChI=1S/C7H10N2O/c1-2-3-6-4-7(5-8)10-9-6/h7H,2-4H2,1H3
InChIKeyMPESYEXRHUVKHQ-UHFFFAOYSA-N
XLogP1.45
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile?
The IUPAC name of 3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile (CID 15315218) is 3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile.
What is the SMILES notation for 3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile?
The canonical SMILES for 3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile is CCCC1=NOC(C#N)C1.
What is the InChIKey of 3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile?
The InChIKey is MPESYEXRHUVKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-2-3-6-4-7(5-8)10-9-6/h7H,2-4H2,1H3.
What are the key properties of 3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile?
3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile has a molecular weight of 138.17 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile is sourced from PubChem (CID 15315218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).