1-[5-(5-chlorofuran-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine

C9H9ClN2O2 — CID 106690764

IUPAC1-[5-(5-chlorofuran-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine
SMILESCNCc1ncoc1-c1ccc(Cl)o1
InChIInChI=1S/C9H9ClN2O2/c1-11-4-6-9(13-5-12-6)7-2-3-8(10)14-7/h2-3,5,11H,4H2,1H3
InChIKeyYIAIGWUAHLUGNC-UHFFFAOYSA-N
MW212.64 g/mol
LogP2.31
Rot. Bonds3

About 1-[5-(5-chlorofuran-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine

1-[5-(5-chlorofuran-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine (PubChem CID 106690764) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 1-[5-(5-chlorofuran-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(5-chlorofuran-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine
PubChem CID106690764
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name1-[5-(5-chlorofuran-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine
SMILESCNCc1ncoc1-c1ccc(Cl)o1
InChIInChI=1S/C9H9ClN2O2/c1-11-4-6-9(13-5-12-6)7-2-3-8(10)14-7/h2-3,5,11H,4H2,1H3
InChIKeyYIAIGWUAHLUGNC-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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Related Compounds

1-[5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 79139851
N-methyl-1-[5-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine
CID 79140225
1-[5-(5-chlorofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 106689586
N-methyl-1-[5-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]methanamine
CID 79140400
1-[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 79139255
1-[5-(2-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 81478617
1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 107952862
N,N-dimethyl-3-[4-(methylaminomethyl)-1,3-oxazol-5-yl]aniline
CID 79139650
2-[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 106690346
N-[[5-(3-chlorothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 80642061
N-[[5-(2,4-dichlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79145623
N-[[5-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79145257

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-chlorofuran-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(5-chlorofuran-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine (CID 106690764) is 1-[5-(5-chlorofuran-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(5-chlorofuran-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(5-chlorofuran-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine is CNCc1ncoc1-c1ccc(Cl)o1.
What is the InChIKey of 1-[5-(5-chlorofuran-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The InChIKey is YIAIGWUAHLUGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-11-4-6-9(13-5-12-6)7-2-3-8(10)14-7/h2-3,5,11H,4H2,1H3.
What are the key properties of 1-[5-(5-chlorofuran-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine?
1-[5-(5-chlorofuran-2-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-[5-(5-chlorofuran-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 106690764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).