2-(3-fluorophenyl)-N-methyl-1,3-oxazol-4-amine

C10H9FN2O — CID 53407346

IUPAC2-(3-fluorophenyl)-N-methyl-1,3-oxazol-4-amine
SMILESCNc1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C10H9FN2O/c1-12-9-6-14-10(13-9)7-3-2-4-8(11)5-7/h2-6,12H,1H3
InChIKeyIROUYGUGQFRHOT-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.52
Rot. Bonds2

About 2-(3-fluorophenyl)-N-methyl-1,3-oxazol-4-amine

2-(3-fluorophenyl)-N-methyl-1,3-oxazol-4-amine (PubChem CID 53407346) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-methyl-1,3-oxazol-4-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-methyl-1,3-oxazol-4-amine
PubChem CID53407346
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name2-(3-fluorophenyl)-N-methyl-1,3-oxazol-4-amine
SMILESCNc1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C10H9FN2O/c1-12-9-6-14-10(13-9)7-3-2-4-8(11)5-7/h2-6,12H,1H3
InChIKeyIROUYGUGQFRHOT-UHFFFAOYSA-N
XLogP2.52
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-methyl-1,3-oxazol-4-amine?
The IUPAC name of 2-(3-fluorophenyl)-N-methyl-1,3-oxazol-4-amine (CID 53407346) is 2-(3-fluorophenyl)-N-methyl-1,3-oxazol-4-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-N-methyl-1,3-oxazol-4-amine?
The canonical SMILES for 2-(3-fluorophenyl)-N-methyl-1,3-oxazol-4-amine is CNc1coc(-c2cccc(F)c2)n1.
What is the InChIKey of 2-(3-fluorophenyl)-N-methyl-1,3-oxazol-4-amine?
The InChIKey is IROUYGUGQFRHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-12-9-6-14-10(13-9)7-3-2-4-8(11)5-7/h2-6,12H,1H3.
What are the key properties of 2-(3-fluorophenyl)-N-methyl-1,3-oxazol-4-amine?
2-(3-fluorophenyl)-N-methyl-1,3-oxazol-4-amine has a molecular weight of 192.19 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-methyl-1,3-oxazol-4-amine is sourced from PubChem (CID 53407346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).