4-(2-bromo-4-pyridinyl)-3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole

C16H12BrFN2O2 — CID 23435655

IUPAC4-(2-bromo-4-pyridinyl)-3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole
SMILESCOCc1onc(-c2ccc(F)cc2)c1-c1ccnc(Br)c1
InChIInChI=1S/C16H12BrFN2O2/c1-21-9-13-15(11-6-7-19-14(17)8-11)16(20-22-13)10-2-4-12(18)5-3-10/h2-8H,9H2,1H3
InChIKeyJOMUHNUHSZTDDT-UHFFFAOYSA-N
MW363.19 g/mol
LogP4.45
Rot. Bonds4

About 4-(2-bromo-4-pyridinyl)-3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole

4-(2-bromo-4-pyridinyl)-3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole (PubChem CID 23435655) has the molecular formula C16H12BrFN2O2 and a molecular weight of 363.19 g/mol. Its IUPAC name is 4-(2-bromo-4-pyridinyl)-3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(2-bromo-4-pyridinyl)-3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole
PubChem CID23435655
Molecular FormulaC16H12BrFN2O2
Molecular Weight363.19 g/mol
Exact Mass362.01
IUPAC Name4-(2-bromo-4-pyridinyl)-3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole
SMILESCOCc1onc(-c2ccc(F)cc2)c1-c1ccnc(Br)c1
InChIInChI=1S/C16H12BrFN2O2/c1-21-9-13-15(11-6-7-19-14(17)8-11)16(20-22-13)10-2-4-12(18)5-3-10/h2-8H,9H2,1H3
InChIKeyJOMUHNUHSZTDDT-UHFFFAOYSA-N
XLogP4.45
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.19
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-pyridinyl)-3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole?
The IUPAC name of 4-(2-bromo-4-pyridinyl)-3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole (CID 23435655) is 4-(2-bromo-4-pyridinyl)-3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole.
What is the SMILES notation for 4-(2-bromo-4-pyridinyl)-3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole?
The canonical SMILES for 4-(2-bromo-4-pyridinyl)-3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole is COCc1onc(-c2ccc(F)cc2)c1-c1ccnc(Br)c1.
What is the InChIKey of 4-(2-bromo-4-pyridinyl)-3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole?
The InChIKey is JOMUHNUHSZTDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O2/c1-21-9-13-15(11-6-7-19-14(17)8-11)16(20-22-13)10-2-4-12(18)5-3-10/h2-8H,9H2,1H3.
What are the key properties of 4-(2-bromo-4-pyridinyl)-3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole?
4-(2-bromo-4-pyridinyl)-3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole has a molecular weight of 363.19 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-pyridinyl)-3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole is sourced from PubChem (CID 23435655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).