5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide

C18H16F2N4O3 — CID 45205519

IUPAC5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCC(c1ccncn1)N(C)C(=O)c1cc(COc2c(F)cccc2F)on1
InChIInChI=1S/C18H16F2N4O3/c1-11(15-6-7-21-10-22-15)24(2)18(25)16-8-12(27-23-16)9-26-17-13(19)4-3-5-14(17)20/h3-8,10-11H,9H2,1-2H3
InChIKeyZKAALUFNUALOFN-UHFFFAOYSA-N
MW374.35 g/mol
LogP3.15
Rot. Bonds6

About 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide

5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 45205519) has the molecular formula C18H16F2N4O3 and a molecular weight of 374.35 g/mol. Its IUPAC name is 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide
PubChem CID45205519
Molecular FormulaC18H16F2N4O3
Molecular Weight374.35 g/mol
Exact Mass374.12
IUPAC Name5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCC(c1ccncn1)N(C)C(=O)c1cc(COc2c(F)cccc2F)on1
InChIInChI=1S/C18H16F2N4O3/c1-11(15-6-7-21-10-22-15)24(2)18(25)16-8-12(27-23-16)9-26-17-13(19)4-3-5-14(17)20/h3-8,10-11H,9H2,1-2H3
InChIKeyZKAALUFNUALOFN-UHFFFAOYSA-N
XLogP3.15
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide (CID 45205519) is 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide is CC(c1ccncn1)N(C)C(=O)c1cc(COc2c(F)cccc2F)on1.
What is the InChIKey of 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is ZKAALUFNUALOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O3/c1-11(15-6-7-21-10-22-15)24(2)18(25)16-8-12(27-23-16)9-26-17-13(19)4-3-5-14(17)20/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide?
5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 374.35 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 45205519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).