N-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine

C12H20N2O2 — CID 65237809

IUPACN-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnoc1C1CCCC1
InChIInChI=1S/C12H20N2O2/c1-15-7-6-13-8-11-9-14-16-12(11)10-4-2-3-5-10/h9-10,13H,2-8H2,1H3
InChIKeyPALWWTDBQJHCHH-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.07
Rot. Bonds6

About N-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine

N-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine (PubChem CID 65237809) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine
PubChem CID65237809
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnoc1C1CCCC1
InChIInChI=1S/C12H20N2O2/c1-15-7-6-13-8-11-9-14-16-12(11)10-4-2-3-5-10/h9-10,13H,2-8H2,1H3
InChIKeyPALWWTDBQJHCHH-UHFFFAOYSA-N
XLogP2.07
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine (CID 65237809) is N-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine is COCCNCc1cnoc1C1CCCC1.
What is the InChIKey of N-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine?
The InChIKey is PALWWTDBQJHCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-15-7-6-13-8-11-9-14-16-12(11)10-4-2-3-5-10/h9-10,13H,2-8H2,1H3.
What are the key properties of N-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine?
N-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine has a molecular weight of 224.30 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 65237809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).