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

Analyze 5-amino-2-cyclooctyl-1,3-oxazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)methanamine
CID 82507667
6-amino-2-cyclohexylpyrimidine-4-carbonitrile
CID 116862724
2-cyclohexyl-5-methyl-1,3,4-oxadiazole;methanamine
CID 143346929
2-cyclohexyl-1,3-benzoxazol-5-amine
CID 770201
2-cyclopropyl-4-propan-2-yl-1,3-oxazol-5-amine
CID 82414117
5-cyclopentyl-1,2,4-oxadiazol-3-amine
CID 53418487
5-amino-2-(3-methylbutan-2-yl)-1,3-oxazole-4-carbonitrile
CID 66010529
1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]imidazole-4,5-dicarbonitrile
CID 86794622
5-amino-8-oxa-3-azatricyclo[8.4.2.02,7]hexadeca-2(7),3,5-triene-4-carbonitrile
CID 171094594
5-amino-3-cyclohexyl-1,2-thiazole-4-carbonitrile
CID 91620610
5-chloro-2-cyclopentyl-1,3-benzoxazol-7-amine
CID 82231734
2-cyclopentyl-5-methyl-[1,3]oxazolo[5,4-b]pyridin-6-amine
CID 115030156

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).