1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine

C12H13ClN2O — CID 65181487

IUPAC1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C12H13ClN2O/c1-8(14-2)12-15-7-11(16-12)9-3-5-10(13)6-4-9/h3-8,14H,1-2H3
InChIKeyREJIHPSRIODZEF-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.28
Rot. Bonds3

About 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine

1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine (PubChem CID 65181487) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
PubChem CID65181487
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C12H13ClN2O/c1-8(14-2)12-15-7-11(16-12)9-3-5-10(13)6-4-9/h3-8,14H,1-2H3
InChIKeyREJIHPSRIODZEF-UHFFFAOYSA-N
XLogP3.28
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine (CID 65181487) is 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine is CNC(C)c1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The InChIKey is REJIHPSRIODZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-8(14-2)12-15-7-11(16-12)9-3-5-10(13)6-4-9/h3-8,14H,1-2H3.
What are the key properties of 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine has a molecular weight of 236.70 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 65181487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).