1-[2-(2-chlorofuran-3-yl)-1,3-oxazol-4-yl]-N-methylmethanamine

C9H9ClN2O2 — CID 106690445

IUPAC1-[2-(2-chlorofuran-3-yl)-1,3-oxazol-4-yl]-N-methylmethanamine
SMILESCNCc1coc(-c2ccoc2Cl)n1
InChIInChI=1S/C9H9ClN2O2/c1-11-4-6-5-14-9(12-6)7-2-3-13-8(7)10/h2-3,5,11H,4H2,1H3
InChIKeySFFNERATQABDEF-UHFFFAOYSA-N
MW212.64 g/mol
LogP2.31
Rot. Bonds3

About 1-[2-(2-chlorofuran-3-yl)-1,3-oxazol-4-yl]-N-methylmethanamine

1-[2-(2-chlorofuran-3-yl)-1,3-oxazol-4-yl]-N-methylmethanamine (PubChem CID 106690445) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 1-[2-(2-chlorofuran-3-yl)-1,3-oxazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-chlorofuran-3-yl)-1,3-oxazol-4-yl]-N-methylmethanamine
PubChem CID106690445
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name1-[2-(2-chlorofuran-3-yl)-1,3-oxazol-4-yl]-N-methylmethanamine
SMILESCNCc1coc(-c2ccoc2Cl)n1
InChIInChI=1S/C9H9ClN2O2/c1-11-4-6-5-14-9(12-6)7-2-3-13-8(7)10/h2-3,5,11H,4H2,1H3
InChIKeySFFNERATQABDEF-UHFFFAOYSA-N
XLogP2.31
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorofuran-3-yl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-chlorofuran-3-yl)-1,3-oxazol-4-yl]-N-methylmethanamine (CID 106690445) is 1-[2-(2-chlorofuran-3-yl)-1,3-oxazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-chlorofuran-3-yl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-chlorofuran-3-yl)-1,3-oxazol-4-yl]-N-methylmethanamine is CNCc1coc(-c2ccoc2Cl)n1.
What is the InChIKey of 1-[2-(2-chlorofuran-3-yl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The InChIKey is SFFNERATQABDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-11-4-6-5-14-9(12-6)7-2-3-13-8(7)10/h2-3,5,11H,4H2,1H3.
What are the key properties of 1-[2-(2-chlorofuran-3-yl)-1,3-oxazol-4-yl]-N-methylmethanamine?
1-[2-(2-chlorofuran-3-yl)-1,3-oxazol-4-yl]-N-methylmethanamine has a molecular weight of 212.64 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorofuran-3-yl)-1,3-oxazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 106690445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).