N-(1,3-benzoxazol-2-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide

C20H15F2N3O4 — CID 56716589

IUPACN-(1,3-benzoxazol-2-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide
SMILESCN(Cc1nc2ccccc2o1)C(=O)c1cc(COc2c(F)cccc2F)on1
InChIInChI=1S/C20H15F2N3O4/c1-25(10-18-23-15-7-2-3-8-17(15)28-18)20(26)16-9-12(29-24-16)11-27-19-13(21)5-4-6-14(19)22/h2-9H,10-11H2,1H3
InChIKeyFLJZMXGILCKEEN-UHFFFAOYSA-N
MW399.35 g/mol
LogP3.95
Rot. Bonds6

About N-(1,3-benzoxazol-2-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide

N-(1,3-benzoxazol-2-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 56716589) has the molecular formula C20H15F2N3O4 and a molecular weight of 399.35 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID56716589
Molecular FormulaC20H15F2N3O4
Molecular Weight399.35 g/mol
Exact Mass399.10
IUPAC NameN-(1,3-benzoxazol-2-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide
SMILESCN(Cc1nc2ccccc2o1)C(=O)c1cc(COc2c(F)cccc2F)on1
InChIInChI=1S/C20H15F2N3O4/c1-25(10-18-23-15-7-2-3-8-17(15)28-18)20(26)16-9-12(29-24-16)11-27-19-13(21)5-4-6-14(19)22/h2-9H,10-11H2,1H3
InChIKeyFLJZMXGILCKEEN-UHFFFAOYSA-N
XLogP3.95
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.35
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide (CID 56716589) is N-(1,3-benzoxazol-2-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzoxazol-2-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzoxazol-2-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide is CN(Cc1nc2ccccc2o1)C(=O)c1cc(COc2c(F)cccc2F)on1.
What is the InChIKey of N-(1,3-benzoxazol-2-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is FLJZMXGILCKEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O4/c1-25(10-18-23-15-7-2-3-8-17(15)28-18)20(26)16-9-12(29-24-16)11-27-19-13(21)5-4-6-14(19)22/h2-9H,10-11H2,1H3.
What are the key properties of N-(1,3-benzoxazol-2-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
N-(1,3-benzoxazol-2-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 399.35 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56716589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).