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

C12H12ClFN2O — CID 107994722

IUPAC1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1ncc(-c2ccc(Cl)c(F)c2)o1
InChIInChI=1S/C12H12ClFN2O/c1-7(15-2)12-16-6-11(17-12)8-3-4-9(13)10(14)5-8/h3-7,15H,1-2H3
InChIKeyGYLJXZSNVXRIPT-UHFFFAOYSA-N
MW254.69 g/mol
LogP3.41
Rot. Bonds3

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

1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine (PubChem CID 107994722) has the molecular formula C12H12ClFN2O and a molecular weight of 254.69 g/mol. Its IUPAC name is 1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
PubChem CID107994722
Molecular FormulaC12H12ClFN2O
Molecular Weight254.69 g/mol
Exact Mass254.06
IUPAC Name1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1ncc(-c2ccc(Cl)c(F)c2)o1
InChIInChI=1S/C12H12ClFN2O/c1-7(15-2)12-16-6-11(17-12)8-3-4-9(13)10(14)5-8/h3-7,15H,1-2H3
InChIKeyGYLJXZSNVXRIPT-UHFFFAOYSA-N
XLogP3.41
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65181487
1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 107994677
N-methyl-1-(5-phenyl-1,3-oxazol-2-yl)ethanamine
CID 65181733
2-(1-chloroethyl)-5-(3-chloro-4-fluorophenyl)-1,3-oxazole
CID 43144224
1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine
CID 62633284
1-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 114561189
N-(4-chloro-3-fluorophenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106959404
1-[5-(2-fluoro-6-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65432346
2-[(1R)-1-chloroethyl]-5-(4-chlorophenyl)-1,3-oxazole
CID 93258003
1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 81104964
1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 107952706
N-methyl-1-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine
CID 65181579

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine (CID 107994722) is 1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine is CNC(C)c1ncc(-c2ccc(Cl)c(F)c2)o1.
What is the InChIKey of 1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The InChIKey is GYLJXZSNVXRIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O/c1-7(15-2)12-16-6-11(17-12)8-3-4-9(13)10(14)5-8/h3-7,15H,1-2H3.
What are the key properties of 1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine has a molecular weight of 254.69 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 107994722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).