N-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

C19H15BrFN3O4 — CID 166108572

IUPACN-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(Br)nc1OC1COC1
InChIInChI=1S/C19H15BrFN3O4/c1-10-16(17(24-28-10)11-2-4-12(21)5-3-11)18(25)22-14-6-7-15(20)23-19(14)27-13-8-26-9-13/h2-7,13H,8-9H2,1H3,(H,22,25)
InChIKeyXUZNKPJDOSBZEN-UHFFFAOYSA-N
MW448.25 g/mol
LogP3.98
Rot. Bonds5

About N-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 166108572) has the molecular formula C19H15BrFN3O4 and a molecular weight of 448.25 g/mol. Its IUPAC name is N-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID166108572
Molecular FormulaC19H15BrFN3O4
Molecular Weight448.25 g/mol
Exact Mass447.02
IUPAC NameN-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(Br)nc1OC1COC1
InChIInChI=1S/C19H15BrFN3O4/c1-10-16(17(24-28-10)11-2-4-12(21)5-3-11)18(25)22-14-6-7-15(20)23-19(14)27-13-8-26-9-13/h2-7,13H,8-9H2,1H3,(H,22,25)
InChIKeyXUZNKPJDOSBZEN-UHFFFAOYSA-N
XLogP3.98
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.25
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805617
N-[6-[2-(aminomethyl)pyrimidin-5-yl]-2-propan-2-yloxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 166108669
N-[6-[4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-ylmethyl)phenyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108820
3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 35998393
4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]benzoic acid
CID 175525447
3-(4-bromophenyl)-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805521
3-(4-fluorophenyl)-N-[2-fluoro-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 55608245
N-(2-methoxy-6-pyridin-4-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108834
3-(4-fluorophenyl)-5-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide
CID 39094592
N-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805807
N-[6-[4-(aminomethyl)phenyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108645
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 55605045

Frequently Asked Questions

What is the IUPAC name of N-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 166108572) is N-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(Br)nc1OC1COC1.
What is the InChIKey of N-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is XUZNKPJDOSBZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFN3O4/c1-10-16(17(24-28-10)11-2-4-12(21)5-3-11)18(25)22-14-6-7-15(20)23-19(14)27-13-8-26-9-13/h2-7,13H,8-9H2,1H3,(H,22,25).
What are the key properties of N-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 448.25 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 166108572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).