N-(6-bromo-3-pyridinyl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide

C17H13BrFN3O2 — CID 110614696

IUPACN-(6-bromo-3-pyridinyl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
SMILESCc1oc(-c2ccc(F)cc2)nc1CC(=O)Nc1ccc(Br)nc1
InChIInChI=1S/C17H13BrFN3O2/c1-10-14(8-16(23)21-13-6-7-15(18)20-9-13)22-17(24-10)11-2-4-12(19)5-3-11/h2-7,9H,8H2,1H3,(H,21,23)
InChIKeyMLZNLWGWTKVNQU-UHFFFAOYSA-N
MW390.21 g/mol
LogP4.13
Rot. Bonds4

About N-(6-bromo-3-pyridinyl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide

N-(6-bromo-3-pyridinyl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide (PubChem CID 110614696) has the molecular formula C17H13BrFN3O2 and a molecular weight of 390.21 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
PubChem CID110614696
Molecular FormulaC17H13BrFN3O2
Molecular Weight390.21 g/mol
Exact Mass389.02
IUPAC NameN-(6-bromo-3-pyridinyl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
SMILESCc1oc(-c2ccc(F)cc2)nc1CC(=O)Nc1ccc(Br)nc1
InChIInChI=1S/C17H13BrFN3O2/c1-10-14(8-16(23)21-13-6-7-15(18)20-9-13)22-17(24-10)11-2-4-12(19)5-3-11/h2-7,9H,8H2,1H3,(H,21,23)
InChIKeyMLZNLWGWTKVNQU-UHFFFAOYSA-N
XLogP4.13
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.21
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 110420420
N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110371758
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide
CID 110611766
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 55952063
N-(2-cyanopropan-2-yl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110406185
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16621496
N-(1,3-benzodioxol-5-yl)-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110371664
4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 16620994
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 110371730
N-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110371709
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110426122
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55645161

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide (CID 110614696) is N-(6-bromo-3-pyridinyl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide is Cc1oc(-c2ccc(F)cc2)nc1CC(=O)Nc1ccc(Br)nc1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The InChIKey is MLZNLWGWTKVNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFN3O2/c1-10-14(8-16(23)21-13-6-7-15(18)20-9-13)22-17(24-10)11-2-4-12(19)5-3-11/h2-7,9H,8H2,1H3,(H,21,23).
What are the key properties of N-(6-bromo-3-pyridinyl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
N-(6-bromo-3-pyridinyl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide has a molecular weight of 390.21 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide is sourced from PubChem (CID 110614696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).