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

C12H17N3O — CID 66009070

IUPAC5-amino-2-cyclooctyl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(C2CCCCCCC2)oc1N
InChIInChI=1S/C12H17N3O/c13-8-10-11(14)16-12(15-10)9-6-4-2-1-3-5-7-9/h9H,1-7,14H2
InChIKeyYHFGMYPVASKUKP-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.96
Rot. Bonds1

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

5-amino-2-cyclooctyl-1,3-oxazole-4-carbonitrile (PubChem CID 66009070) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-amino-2-cyclooctyl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-2-cyclooctyl-1,3-oxazole-4-carbonitrile
PubChem CID66009070
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name5-amino-2-cyclooctyl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(C2CCCCCCC2)oc1N
InChIInChI=1S/C12H17N3O/c13-8-10-11(14)16-12(15-10)9-6-4-2-1-3-5-7-9/h9H,1-7,14H2
InChIKeyYHFGMYPVASKUKP-UHFFFAOYSA-N
XLogP2.96
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-cyclooctyl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-amino-2-cyclooctyl-1,3-oxazole-4-carbonitrile (CID 66009070) is 5-amino-2-cyclooctyl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-amino-2-cyclooctyl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-amino-2-cyclooctyl-1,3-oxazole-4-carbonitrile is N#Cc1nc(C2CCCCCCC2)oc1N.
What is the InChIKey of 5-amino-2-cyclooctyl-1,3-oxazole-4-carbonitrile?
The InChIKey is YHFGMYPVASKUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-8-10-11(14)16-12(15-10)9-6-4-2-1-3-5-7-9/h9H,1-7,14H2.
What are the key properties of 5-amino-2-cyclooctyl-1,3-oxazole-4-carbonitrile?
5-amino-2-cyclooctyl-1,3-oxazole-4-carbonitrile has a molecular weight of 219.29 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-cyclooctyl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 66009070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).