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

C12H13ClN2O2 — CID 113378069

IUPAC1-[2-[(3-chlorophenyl)methoxy]-1,3-oxazol-4-yl]-N-methylmethanamine
SMILESCNCc1coc(OCc2cccc(Cl)c2)n1
InChIInChI=1S/C12H13ClN2O2/c1-14-6-11-8-17-12(15-11)16-7-9-3-2-4-10(13)5-9/h2-5,8,14H,6-7H2,1H3
InChIKeyZHSKLWJKGJDGIG-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.63
Rot. Bonds5

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

1-[2-[(3-chlorophenyl)methoxy]-1,3-oxazol-4-yl]-N-methylmethanamine (PubChem CID 113378069) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 1-[2-[(3-chlorophenyl)methoxy]-1,3-oxazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(3-chlorophenyl)methoxy]-1,3-oxazol-4-yl]-N-methylmethanamine
PubChem CID113378069
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name1-[2-[(3-chlorophenyl)methoxy]-1,3-oxazol-4-yl]-N-methylmethanamine
SMILESCNCc1coc(OCc2cccc(Cl)c2)n1
InChIInChI=1S/C12H13ClN2O2/c1-14-6-11-8-17-12(15-11)16-7-9-3-2-4-10(13)5-9/h2-5,8,14H,6-7H2,1H3
InChIKeyZHSKLWJKGJDGIG-UHFFFAOYSA-N
XLogP2.63
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-chlorophenyl)methoxy]-1,3-oxazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(3-chlorophenyl)methoxy]-1,3-oxazol-4-yl]-N-methylmethanamine (CID 113378069) is 1-[2-[(3-chlorophenyl)methoxy]-1,3-oxazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(3-chlorophenyl)methoxy]-1,3-oxazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(3-chlorophenyl)methoxy]-1,3-oxazol-4-yl]-N-methylmethanamine is CNCc1coc(OCc2cccc(Cl)c2)n1.
What is the InChIKey of 1-[2-[(3-chlorophenyl)methoxy]-1,3-oxazol-4-yl]-N-methylmethanamine?
The InChIKey is ZHSKLWJKGJDGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-14-6-11-8-17-12(15-11)16-7-9-3-2-4-10(13)5-9/h2-5,8,14H,6-7H2,1H3.
What are the key properties of 1-[2-[(3-chlorophenyl)methoxy]-1,3-oxazol-4-yl]-N-methylmethanamine?
1-[2-[(3-chlorophenyl)methoxy]-1,3-oxazol-4-yl]-N-methylmethanamine has a molecular weight of 252.70 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-chlorophenyl)methoxy]-1,3-oxazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 113378069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).