1-(2-fluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine

C12H13FN2O — CID 75402014

IUPAC1-(2-fluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine
SMILESCN(Cc1ccno1)Cc1ccccc1F
InChIInChI=1S/C12H13FN2O/c1-15(9-11-6-7-14-16-11)8-10-4-2-3-5-12(10)13/h2-7H,8-9H2,1H3
InChIKeyXFWOWWCJOPIJHS-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.45
Rot. Bonds4

About 1-(2-fluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine

1-(2-fluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine (PubChem CID 75402014) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine
PubChem CID75402014
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name1-(2-fluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine
SMILESCN(Cc1ccno1)Cc1ccccc1F
InChIInChI=1S/C12H13FN2O/c1-15(9-11-6-7-14-16-11)8-10-4-2-3-5-12(10)13/h2-7H,8-9H2,1H3
InChIKeyXFWOWWCJOPIJHS-UHFFFAOYSA-N
XLogP2.45
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine (CID 75402014) is 1-(2-fluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine is CN(Cc1ccno1)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine?
The InChIKey is XFWOWWCJOPIJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-15(9-11-6-7-14-16-11)8-10-4-2-3-5-12(10)13/h2-7H,8-9H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine?
1-(2-fluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine has a molecular weight of 220.25 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine is sourced from PubChem (CID 75402014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).