1-[5-(2-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine

C12H13FN2O — CID 81478617

IUPAC1-[5-(2-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
SMILESCNCc1ncoc1-c1cccc(C)c1F
InChIInChI=1S/C12H13FN2O/c1-8-4-3-5-9(11(8)13)12-10(6-14-2)15-7-16-12/h3-5,7,14H,6H2,1-2H3
InChIKeyCFOFRDNNIPWSLH-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.51
Rot. Bonds3

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

1-[5-(2-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine (PubChem CID 81478617) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-[5-(2-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
PubChem CID81478617
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name1-[5-(2-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
SMILESCNCc1ncoc1-c1cccc(C)c1F
InChIInChI=1S/C12H13FN2O/c1-8-4-3-5-9(11(8)13)12-10(6-14-2)15-7-16-12/h3-5,7,14H,6H2,1-2H3
InChIKeyCFOFRDNNIPWSLH-UHFFFAOYSA-N
XLogP2.51
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine (CID 81478617) is 1-[5-(2-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine is CNCc1ncoc1-c1cccc(C)c1F.
What is the InChIKey of 1-[5-(2-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The InChIKey is CFOFRDNNIPWSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-8-4-3-5-9(11(8)13)12-10(6-14-2)15-7-16-12/h3-5,7,14H,6H2,1-2H3.
What are the key properties of 1-[5-(2-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine?
1-[5-(2-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine has a molecular weight of 220.25 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 81478617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).