2-[5-(3-chloro-5-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine

C13H15ClN2O — CID 81325065

IUPAC2-[5-(3-chloro-5-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNCCc1ncc(-c2cc(C)cc(Cl)c2)o1
InChIInChI=1S/C13H15ClN2O/c1-9-5-10(7-11(14)6-9)12-8-16-13(17-12)3-4-15-2/h5-8,15H,3-4H2,1-2H3
InChIKeyTYTFUWBBYQFOTB-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.07
Rot. Bonds4

About 2-[5-(3-chloro-5-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine

2-[5-(3-chloro-5-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine (PubChem CID 81325065) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-[5-(3-chloro-5-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(3-chloro-5-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
PubChem CID81325065
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name2-[5-(3-chloro-5-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNCCc1ncc(-c2cc(C)cc(Cl)c2)o1
InChIInChI=1S/C13H15ClN2O/c1-9-5-10(7-11(14)6-9)12-8-16-13(17-12)3-4-15-2/h5-8,15H,3-4H2,1-2H3
InChIKeyTYTFUWBBYQFOTB-UHFFFAOYSA-N
XLogP3.07
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(3-chloro-5-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 81324586
2-[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65183235
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65182883
2-[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 106690346
2-(chloromethyl)-5-(3,5-dimethylphenyl)-1,3-oxazole
CID 65179393
2-[5-(2-chlorofuran-3-yl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 106690347
2-[5-(3-bromo-5-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 107941918
3-[5-(3-bromo-5-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
CID 107941923
3-[5-(5-chloro-2-methylphenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 82891205
2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65183004
2-[5-(5-bromo-2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65183441
N-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine
CID 65183488

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chloro-5-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[5-(3-chloro-5-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine (CID 81325065) is 2-[5-(3-chloro-5-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-(3-chloro-5-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-(3-chloro-5-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine is CNCCc1ncc(-c2cc(C)cc(Cl)c2)o1.
What is the InChIKey of 2-[5-(3-chloro-5-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The InChIKey is TYTFUWBBYQFOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-9-5-10(7-11(14)6-9)12-8-16-13(17-12)3-4-15-2/h5-8,15H,3-4H2,1-2H3.
What are the key properties of 2-[5-(3-chloro-5-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
2-[5-(3-chloro-5-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine has a molecular weight of 250.73 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chloro-5-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 81325065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).