N-(1,2-oxazol-5-ylmethyl)cyclooctanamine

C12H20N2O — CID 103604816

IUPACN-(1,2-oxazol-5-ylmethyl)cyclooctanamine
SMILESc1cc(CNC2CCCCCCC2)on1
InChIInChI=1S/C12H20N2O/c1-2-4-6-11(7-5-3-1)13-10-12-8-9-14-15-12/h8-9,11,13H,1-7,10H2
InChIKeyNSPZRZYUFKFAFC-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.88
Rot. Bonds3

About N-(1,2-oxazol-5-ylmethyl)cyclooctanamine

N-(1,2-oxazol-5-ylmethyl)cyclooctanamine (PubChem CID 103604816) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)cyclooctanamine.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)cyclooctanamine
PubChem CID103604816
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-(1,2-oxazol-5-ylmethyl)cyclooctanamine
SMILESc1cc(CNC2CCCCCCC2)on1
InChIInChI=1S/C12H20N2O/c1-2-4-6-11(7-5-3-1)13-10-12-8-9-14-15-12/h8-9,11,13H,1-7,10H2
InChIKeyNSPZRZYUFKFAFC-UHFFFAOYSA-N
XLogP2.88
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)cyclooctanamine?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)cyclooctanamine (CID 103604816) is N-(1,2-oxazol-5-ylmethyl)cyclooctanamine.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)cyclooctanamine?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)cyclooctanamine is c1cc(CNC2CCCCCCC2)on1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)cyclooctanamine?
The InChIKey is NSPZRZYUFKFAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-4-6-11(7-5-3-1)13-10-12-8-9-14-15-12/h8-9,11,13H,1-7,10H2.
What are the key properties of N-(1,2-oxazol-5-ylmethyl)cyclooctanamine?
N-(1,2-oxazol-5-ylmethyl)cyclooctanamine has a molecular weight of 208.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)cyclooctanamine is sourced from PubChem (CID 103604816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).