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

C12H13ClN2O2 — CID 113378031

IUPAC1-[2-(2-chloro-5-methylphenoxy)-1,3-oxazol-4-yl]-N-methylmethanamine
SMILESCNCc1coc(Oc2cc(C)ccc2Cl)n1
InChIInChI=1S/C12H13ClN2O2/c1-8-3-4-10(13)11(5-8)17-12-15-9(6-14-2)7-16-12/h3-5,7,14H,6H2,1-2H3
InChIKeyYQASFAKZXBFTHW-UHFFFAOYSA-N
MW252.70 g/mol
LogP3.15
Rot. Bonds4

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

1-[2-(2-chloro-5-methylphenoxy)-1,3-oxazol-4-yl]-N-methylmethanamine (PubChem CID 113378031) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 1-[2-(2-chloro-5-methylphenoxy)-1,3-oxazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-chloro-5-methylphenoxy)-1,3-oxazol-4-yl]-N-methylmethanamine
PubChem CID113378031
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name1-[2-(2-chloro-5-methylphenoxy)-1,3-oxazol-4-yl]-N-methylmethanamine
SMILESCNCc1coc(Oc2cc(C)ccc2Cl)n1
InChIInChI=1S/C12H13ClN2O2/c1-8-3-4-10(13)11(5-8)17-12-15-9(6-14-2)7-16-12/h3-5,7,14H,6H2,1-2H3
InChIKeyYQASFAKZXBFTHW-UHFFFAOYSA-N
XLogP3.15
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-chloro-5-methylphenoxy)-1,3-oxazol-4-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-5-methylphenoxy)-1,3-oxazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-chloro-5-methylphenoxy)-1,3-oxazol-4-yl]-N-methylmethanamine (CID 113378031) is 1-[2-(2-chloro-5-methylphenoxy)-1,3-oxazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-chloro-5-methylphenoxy)-1,3-oxazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-chloro-5-methylphenoxy)-1,3-oxazol-4-yl]-N-methylmethanamine is CNCc1coc(Oc2cc(C)ccc2Cl)n1.
What is the InChIKey of 1-[2-(2-chloro-5-methylphenoxy)-1,3-oxazol-4-yl]-N-methylmethanamine?
The InChIKey is YQASFAKZXBFTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-8-3-4-10(13)11(5-8)17-12-15-9(6-14-2)7-16-12/h3-5,7,14H,6H2,1-2H3.
What are the key properties of 1-[2-(2-chloro-5-methylphenoxy)-1,3-oxazol-4-yl]-N-methylmethanamine?
1-[2-(2-chloro-5-methylphenoxy)-1,3-oxazol-4-yl]-N-methylmethanamine has a molecular weight of 252.70 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-5-methylphenoxy)-1,3-oxazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 113378031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).