N-cyclopentyloxy-1-(1,3-oxazol-5-yl)methanamine

C9H14N2O2 — CID 83228855

IUPACN-cyclopentyloxy-1-(1,3-oxazol-5-yl)methanamine
SMILESc1ncc(CNOC2CCCC2)o1
InChIInChI=1S/C9H14N2O2/c1-2-4-8(3-1)13-11-6-9-5-10-7-12-9/h5,7-8,11H,1-4,6H2
InChIKeyKYBUZKKYSIAWBU-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.64
Rot. Bonds4

About N-cyclopentyloxy-1-(1,3-oxazol-5-yl)methanamine

N-cyclopentyloxy-1-(1,3-oxazol-5-yl)methanamine (PubChem CID 83228855) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-cyclopentyloxy-1-(1,3-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-cyclopentyloxy-1-(1,3-oxazol-5-yl)methanamine
PubChem CID83228855
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-cyclopentyloxy-1-(1,3-oxazol-5-yl)methanamine
SMILESc1ncc(CNOC2CCCC2)o1
InChIInChI=1S/C9H14N2O2/c1-2-4-8(3-1)13-11-6-9-5-10-7-12-9/h5,7-8,11H,1-4,6H2
InChIKeyKYBUZKKYSIAWBU-UHFFFAOYSA-N
XLogP1.64
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-(1,3-oxazol-5-yl)methanamine?
The IUPAC name of N-cyclopentyloxy-1-(1,3-oxazol-5-yl)methanamine (CID 83228855) is N-cyclopentyloxy-1-(1,3-oxazol-5-yl)methanamine.
What is the SMILES notation for N-cyclopentyloxy-1-(1,3-oxazol-5-yl)methanamine?
The canonical SMILES for N-cyclopentyloxy-1-(1,3-oxazol-5-yl)methanamine is c1ncc(CNOC2CCCC2)o1.
What is the InChIKey of N-cyclopentyloxy-1-(1,3-oxazol-5-yl)methanamine?
The InChIKey is KYBUZKKYSIAWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-4-8(3-1)13-11-6-9-5-10-7-12-9/h5,7-8,11H,1-4,6H2.
What are the key properties of N-cyclopentyloxy-1-(1,3-oxazol-5-yl)methanamine?
N-cyclopentyloxy-1-(1,3-oxazol-5-yl)methanamine has a molecular weight of 182.22 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-(1,3-oxazol-5-yl)methanamine is sourced from PubChem (CID 83228855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).