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

C19H14F2N4O7 — CID 19484018

IUPAC4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-(4-methyl-3,5-dinitrophenyl)-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c1COc1ccc(F)cc1F
InChIInChI=1S/C19H14F2N4O7/c1-9-15(24(27)28)6-12(7-16(9)25(29)30)22-19(26)18-13(10(2)32-23-18)8-31-17-4-3-11(20)5-14(17)21/h3-7H,8H2,1-2H3,(H,22,26)
InChIKeyBNJFXYXFULJFQI-UHFFFAOYSA-N
MW448.34 g/mol
LogP4.22
Rot. Bonds7

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

4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-(4-methyl-3,5-dinitrophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 19484018) has the molecular formula C19H14F2N4O7 and a molecular weight of 448.34 g/mol. Its IUPAC name is 4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-(4-methyl-3,5-dinitrophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-(4-methyl-3,5-dinitrophenyl)-1,2-oxazole-3-carboxamide
PubChem CID19484018
Molecular FormulaC19H14F2N4O7
Molecular Weight448.34 g/mol
Exact Mass448.08
IUPAC Name4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-(4-methyl-3,5-dinitrophenyl)-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c1COc1ccc(F)cc1F
InChIInChI=1S/C19H14F2N4O7/c1-9-15(24(27)28)6-12(7-16(9)25(29)30)22-19(26)18-13(10(2)32-23-18)8-31-17-4-3-11(20)5-14(17)21/h3-7H,8H2,1-2H3,(H,22,26)
InChIKeyBNJFXYXFULJFQI-UHFFFAOYSA-N
XLogP4.22
TPSA150.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.34
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2,3-dimethylphenoxy)methyl]-5-methyl-N-(4-methyl-3,5-dinitrophenyl)-1,2-oxazole-3-carboxamide
CID 19490574
4-[(2,4-difluorophenoxy)methyl]-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19483878
N-(3,4-dichlorophenyl)-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19483868
N-[4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19483990
5-[(2,4-difluorophenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)furan-2-carboxamide
CID 19453273
4-[(2,4-difluorophenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19483823
4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
CID 19623167
4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 19483909
4-[(2-fluorophenoxy)methyl]-5-methyl-N-phenyl-1,2-oxazole-3-carboxamide
CID 19490191
N-(1-benzylpyrazol-4-yl)-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19483918
4-[(2,4-difluorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19484036
N-(2,4-difluorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19442939

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-(4-methyl-3,5-dinitrophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-(4-methyl-3,5-dinitrophenyl)-1,2-oxazole-3-carboxamide (CID 19484018) is 4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-(4-methyl-3,5-dinitrophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-(4-methyl-3,5-dinitrophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-(4-methyl-3,5-dinitrophenyl)-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)Nc2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c1COc1ccc(F)cc1F.
What is the InChIKey of 4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-(4-methyl-3,5-dinitrophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is BNJFXYXFULJFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O7/c1-9-15(24(27)28)6-12(7-16(9)25(29)30)22-19(26)18-13(10(2)32-23-18)8-31-17-4-3-11(20)5-14(17)21/h3-7H,8H2,1-2H3,(H,22,26).
What are the key properties of 4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-(4-methyl-3,5-dinitrophenyl)-1,2-oxazole-3-carboxamide?
4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-(4-methyl-3,5-dinitrophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 448.34 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-(4-methyl-3,5-dinitrophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19484018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).