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

C12H13FN2O — CID 65182883

IUPAC2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNCCc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C12H13FN2O/c1-14-7-6-12-15-8-11(16-12)9-2-4-10(13)5-3-9/h2-5,8,14H,6-7H2,1H3
InChIKeyIGPAGUMZNZENDU-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.24
Rot. Bonds4

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

2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine (PubChem CID 65182883) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
PubChem CID65182883
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNCCc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C12H13FN2O/c1-14-7-6-12-15-8-11(16-12)9-2-4-10(13)5-3-9/h2-5,8,14H,6-7H2,1H3
InChIKeyIGPAGUMZNZENDU-UHFFFAOYSA-N
XLogP2.24
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 3049275
2-[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65183235
N-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65185138
2-[5-(furan-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65183444
2-[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 106690346
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetonitrile
CID 82397195
N-[2-(4-fluorophenyl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 30698610
2-[5-(3-chloro-5-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 81325065
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide
CID 46570487
N-methyl-2-[5-(3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65183195
2-[5-(2-chlorofuran-3-yl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 106690347
4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-methylbenzamide
CID 16598099

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine (CID 65182883) is 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine is CNCCc1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The InChIKey is IGPAGUMZNZENDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-14-7-6-12-15-8-11(16-12)9-2-4-10(13)5-3-9/h2-5,8,14H,6-7H2,1H3.
What are the key properties of 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine has a molecular weight of 220.25 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 65182883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).