4-[(2-methoxyphenoxy)methyl]-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazole-3-carboxamide

C19H13F5N2O4 — CID 19442830

IUPAC4-[(2-methoxyphenoxy)methyl]-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1OCc1c(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)noc1C
InChIInChI=1S/C19H13F5N2O4/c1-8-9(7-29-11-6-4-3-5-10(11)28-2)17(26-30-8)19(27)25-18-15(23)13(21)12(20)14(22)16(18)24/h3-6H,7H2,1-2H3,(H,25,27)
InChIKeyVUHLZPGJZYUMAU-UHFFFAOYSA-N
MW428.31 g/mol
LogP4.52
Rot. Bonds6

About 4-[(2-methoxyphenoxy)methyl]-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazole-3-carboxamide

4-[(2-methoxyphenoxy)methyl]-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 19442830) has the molecular formula C19H13F5N2O4 and a molecular weight of 428.31 g/mol. Its IUPAC name is 4-[(2-methoxyphenoxy)methyl]-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(2-methoxyphenoxy)methyl]-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID19442830
Molecular FormulaC19H13F5N2O4
Molecular Weight428.31 g/mol
Exact Mass428.08
IUPAC Name4-[(2-methoxyphenoxy)methyl]-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1OCc1c(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)noc1C
InChIInChI=1S/C19H13F5N2O4/c1-8-9(7-29-11-6-4-3-5-10(11)28-2)17(26-30-8)19(27)25-18-15(23)13(21)12(20)14(22)16(18)24/h3-6H,7H2,1-2H3,(H,25,27)
InChIKeyVUHLZPGJZYUMAU-UHFFFAOYSA-N
XLogP4.52
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.31
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-5-methylphenyl)-4-[(2-methoxyphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19442833
4-[(2-methoxyphenoxy)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19442790
4-[(2-methoxyphenoxy)methyl]-5-methyl-N-propyl-1,2-oxazole-3-carboxamide
CID 19442847
4-[(2,3-dimethylphenoxy)methyl]-5-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19490517
4-[(2-fluorophenoxy)methyl]-5-methyl-N-phenyl-1,2-oxazole-3-carboxamide
CID 19490191
N-(2,6-dibromo-4-fluorophenyl)-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492810
N-(2-methoxyphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488591
N-(4-methoxyphenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19443003
4-[(2-fluorophenoxy)methyl]-5-methyl-N-propyl-1,2-oxazole-3-carboxamide
CID 19490221
N-(2,4-difluorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19442939
4-[(2-fluorophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19492842
4-[(2-fluorophenoxy)methyl]-5-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 19492841

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenoxy)methyl]-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(2-methoxyphenoxy)methyl]-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazole-3-carboxamide (CID 19442830) is 4-[(2-methoxyphenoxy)methyl]-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(2-methoxyphenoxy)methyl]-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(2-methoxyphenoxy)methyl]-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazole-3-carboxamide is COc1ccccc1OCc1c(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)noc1C.
What is the InChIKey of 4-[(2-methoxyphenoxy)methyl]-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is VUHLZPGJZYUMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F5N2O4/c1-8-9(7-29-11-6-4-3-5-10(11)28-2)17(26-30-8)19(27)25-18-15(23)13(21)12(20)14(22)16(18)24/h3-6H,7H2,1-2H3,(H,25,27).
What are the key properties of 4-[(2-methoxyphenoxy)methyl]-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazole-3-carboxamide?
4-[(2-methoxyphenoxy)methyl]-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 428.31 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenoxy)methyl]-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19442830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).