5-(4-fluorophenyl)-4-methyl-3-[(4-methyl-2-nitrophenoxy)methyl]-1,2-oxazole

C18H15FN2O4 — CID 8881560

IUPAC5-(4-fluorophenyl)-4-methyl-3-[(4-methyl-2-nitrophenoxy)methyl]-1,2-oxazole
SMILESCc1ccc(OCc2noc(-c3ccc(F)cc3)c2C)c([N+](=O)[O-])c1
InChIInChI=1S/C18H15FN2O4/c1-11-3-8-17(16(9-11)21(22)23)24-10-15-12(2)18(25-20-15)13-4-6-14(19)7-5-13/h3-9H,10H2,1-2H3
InChIKeyGZRPRLGCKKCTNS-UHFFFAOYSA-N
MW342.33 g/mol
LogP4.58
Rot. Bonds5

About 5-(4-fluorophenyl)-4-methyl-3-[(4-methyl-2-nitrophenoxy)methyl]-1,2-oxazole

5-(4-fluorophenyl)-4-methyl-3-[(4-methyl-2-nitrophenoxy)methyl]-1,2-oxazole (PubChem CID 8881560) has the molecular formula C18H15FN2O4 and a molecular weight of 342.33 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-methyl-3-[(4-methyl-2-nitrophenoxy)methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-methyl-3-[(4-methyl-2-nitrophenoxy)methyl]-1,2-oxazole
PubChem CID8881560
Molecular FormulaC18H15FN2O4
Molecular Weight342.33 g/mol
Exact Mass342.10
IUPAC Name5-(4-fluorophenyl)-4-methyl-3-[(4-methyl-2-nitrophenoxy)methyl]-1,2-oxazole
SMILESCc1ccc(OCc2noc(-c3ccc(F)cc3)c2C)c([N+](=O)[O-])c1
InChIInChI=1S/C18H15FN2O4/c1-11-3-8-17(16(9-11)21(22)23)24-10-15-12(2)18(25-20-15)13-4-6-14(19)7-5-13/h3-9H,10H2,1-2H3
InChIKeyGZRPRLGCKKCTNS-UHFFFAOYSA-N
XLogP4.58
TPSA78.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-methyl-3-[(4-methyl-2-nitrophenoxy)methyl]-1,2-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-4-methyl-3-[(4-methyl-2-nitrophenoxy)methyl]-1,2-oxazole (CID 8881560) is 5-(4-fluorophenyl)-4-methyl-3-[(4-methyl-2-nitrophenoxy)methyl]-1,2-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-4-methyl-3-[(4-methyl-2-nitrophenoxy)methyl]-1,2-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-4-methyl-3-[(4-methyl-2-nitrophenoxy)methyl]-1,2-oxazole is Cc1ccc(OCc2noc(-c3ccc(F)cc3)c2C)c([N+](=O)[O-])c1.
What is the InChIKey of 5-(4-fluorophenyl)-4-methyl-3-[(4-methyl-2-nitrophenoxy)methyl]-1,2-oxazole?
The InChIKey is GZRPRLGCKKCTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4/c1-11-3-8-17(16(9-11)21(22)23)24-10-15-12(2)18(25-20-15)13-4-6-14(19)7-5-13/h3-9H,10H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-4-methyl-3-[(4-methyl-2-nitrophenoxy)methyl]-1,2-oxazole?
5-(4-fluorophenyl)-4-methyl-3-[(4-methyl-2-nitrophenoxy)methyl]-1,2-oxazole has a molecular weight of 342.33 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-methyl-3-[(4-methyl-2-nitrophenoxy)methyl]-1,2-oxazole is sourced from PubChem (CID 8881560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).