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

C7H7N3O — CID 131558836

IUPAC3-amino-5-cyclopropyl-1,2-oxazole-4-carbonitrile
SMILESN#Cc1c(N)noc1C1CC1
InChIInChI=1S/C7H7N3O/c8-3-5-6(4-1-2-4)11-10-7(5)9/h4H,1-2H2,(H2,9,10)
InChIKeyGSXVJRGQMNKQGQ-UHFFFAOYSA-N
MW149.15 g/mol
LogP1.01
Rot. Bonds1

About 3-amino-5-cyclopropyl-1,2-oxazole-4-carbonitrile

3-amino-5-cyclopropyl-1,2-oxazole-4-carbonitrile (PubChem CID 131558836) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 3-amino-5-cyclopropyl-1,2-oxazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-cyclopropyl-1,2-oxazole-4-carbonitrile
PubChem CID131558836
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name3-amino-5-cyclopropyl-1,2-oxazole-4-carbonitrile
SMILESN#Cc1c(N)noc1C1CC1
InChIInChI=1S/C7H7N3O/c8-3-5-6(4-1-2-4)11-10-7(5)9/h4H,1-2H2,(H2,9,10)
InChIKeyGSXVJRGQMNKQGQ-UHFFFAOYSA-N
XLogP1.01
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-cyclopropyl-1,2-oxazole-4-carbonitrile?
The IUPAC name of 3-amino-5-cyclopropyl-1,2-oxazole-4-carbonitrile (CID 131558836) is 3-amino-5-cyclopropyl-1,2-oxazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-cyclopropyl-1,2-oxazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-cyclopropyl-1,2-oxazole-4-carbonitrile is N#Cc1c(N)noc1C1CC1.
What is the InChIKey of 3-amino-5-cyclopropyl-1,2-oxazole-4-carbonitrile?
The InChIKey is GSXVJRGQMNKQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c8-3-5-6(4-1-2-4)11-10-7(5)9/h4H,1-2H2,(H2,9,10).
What are the key properties of 3-amino-5-cyclopropyl-1,2-oxazole-4-carbonitrile?
3-amino-5-cyclopropyl-1,2-oxazole-4-carbonitrile has a molecular weight of 149.15 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-cyclopropyl-1,2-oxazole-4-carbonitrile is sourced from PubChem (CID 131558836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).