1-(2,4-difluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine

C12H12F2N2O — CID 71943105

IUPAC1-(2,4-difluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine
SMILESCN(Cc1ccno1)Cc1ccc(F)cc1F
InChIInChI=1S/C12H12F2N2O/c1-16(8-11-4-5-15-17-11)7-9-2-3-10(13)6-12(9)14/h2-6H,7-8H2,1H3
InChIKeyLYWJPLQIUXIIBP-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.58
Rot. Bonds4

About 1-(2,4-difluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine

1-(2,4-difluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine (PubChem CID 71943105) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine
PubChem CID71943105
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name1-(2,4-difluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine
SMILESCN(Cc1ccno1)Cc1ccc(F)cc1F
InChIInChI=1S/C12H12F2N2O/c1-16(8-11-4-5-15-17-11)7-9-2-3-10(13)6-12(9)14/h2-6H,7-8H2,1H3
InChIKeyLYWJPLQIUXIIBP-UHFFFAOYSA-N
XLogP2.58
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine (CID 71943105) is 1-(2,4-difluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine is CN(Cc1ccno1)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine?
The InChIKey is LYWJPLQIUXIIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-16(8-11-4-5-15-17-11)7-9-2-3-10(13)6-12(9)14/h2-6H,7-8H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine?
1-(2,4-difluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine has a molecular weight of 238.24 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine is sourced from PubChem (CID 71943105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).