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

C11H13FN2O — CID 24715265

IUPAC1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine
SMILESCNCC1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C11H13FN2O/c1-13-7-10-6-11(14-15-10)8-2-4-9(12)5-3-8/h2-5,10,13H,6-7H2,1H3
InChIKeyVLONWWXHFPSDLN-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.54
Rot. Bonds3

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

1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine (PubChem CID 24715265) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine
PubChem CID24715265
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine
SMILESCNCC1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C11H13FN2O/c1-13-7-10-6-11(14-15-10)8-2-4-9(12)5-3-8/h2-5,10,13H,6-7H2,1H3
InChIKeyVLONWWXHFPSDLN-UHFFFAOYSA-N
XLogP1.54
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-[1-(4-fluorophenyl)-5-methoxypentylidene]amino]oxyethanamine
CID 58046602
3-(4-fluorophenyl)-N-(2-methoxyethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 9550380
3-(3-fluorophenyl)-N-(2-methoxyethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681859
N-butyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681945
3-(4-fluorophenyl)-N-(propan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 6622614
N-butyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095766
3-(4-fluorophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095768
3-(2-fluorophenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095812
N-butyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095813
3-(4-fluorophenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 6622840
N-[[(5R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 11054195
3-(3-fluorophenyl)-N-(3-methylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681857

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine (CID 24715265) is 1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine is CNCC1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine?
The InChIKey is VLONWWXHFPSDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-13-7-10-6-11(14-15-10)8-2-4-9(12)5-3-8/h2-5,10,13H,6-7H2,1H3.
What are the key properties of 1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine?
1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine has a molecular weight of 208.24 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 24715265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).