4-[(2-fluorophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)-5-methyl-1,2-oxazole-3-carboxamide

C19H16FN3O6 — CID 19492842

IUPAC4-[(2-fluorophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)c1noc(C)c1COc1ccccc1F
InChIInChI=1S/C19H16FN3O6/c1-11-13(10-28-16-6-4-3-5-14(16)20)18(22-29-11)19(24)21-15-8-7-12(23(25)26)9-17(15)27-2/h3-9H,10H2,1-2H3,(H,21,24)
InChIKeyLDDNTXDJBNYQHT-UHFFFAOYSA-N
MW401.35 g/mol
LogP3.87
Rot. Bonds7

About 4-[(2-fluorophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)-5-methyl-1,2-oxazole-3-carboxamide

4-[(2-fluorophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19492842) has the molecular formula C19H16FN3O6 and a molecular weight of 401.35 g/mol. Its IUPAC name is 4-[(2-fluorophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(2-fluorophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19492842
Molecular FormulaC19H16FN3O6
Molecular Weight401.35 g/mol
Exact Mass401.10
IUPAC Name4-[(2-fluorophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)c1noc(C)c1COc1ccccc1F
InChIInChI=1S/C19H16FN3O6/c1-11-13(10-28-16-6-4-3-5-14(16)20)18(22-29-11)19(24)21-15-8-7-12(23(25)26)9-17(15)27-2/h3-9H,10H2,1-2H3,(H,21,24)
InChIKeyLDDNTXDJBNYQHT-UHFFFAOYSA-N
XLogP3.87
TPSA116.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-fluorophenoxy)methyl]-5-methyl-N-phenyl-1,2-oxazole-3-carboxamide
CID 19490191
4-[(2,4-difluorophenoxy)methyl]-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19483878
N-cycloheptyl-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492794
2-fluoro-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2885825
4-[(2-methoxyphenoxy)methyl]-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazole-3-carboxamide
CID 19442830
4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-(4-methyl-3,5-dinitrophenyl)-1,2-oxazole-3-carboxamide
CID 19484018
N-(2-methoxyphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488591
4-[(2-fluorophenoxy)methyl]-5-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 19492841
4-[(2-fluorophenoxy)methyl]-5-methyl-N-(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 19490314
4-[(2-fluorophenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
CID 19492833
4-[(2-methoxyphenoxy)methyl]-5-methyl-N-propyl-1,2-oxazole-3-carboxamide
CID 19442847
2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 4285710

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(2-fluorophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 19492842) is 4-[(2-fluorophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(2-fluorophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(2-fluorophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)-5-methyl-1,2-oxazole-3-carboxamide is COc1cc([N+](=O)[O-])ccc1NC(=O)c1noc(C)c1COc1ccccc1F.
What is the InChIKey of 4-[(2-fluorophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is LDDNTXDJBNYQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O6/c1-11-13(10-28-16-6-4-3-5-14(16)20)18(22-29-11)19(24)21-15-8-7-12(23(25)26)9-17(15)27-2/h3-9H,10H2,1-2H3,(H,21,24).
What are the key properties of 4-[(2-fluorophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
4-[(2-fluorophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 401.35 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19492842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).