N-(4-bromo-2-fluorophenyl)-3-methoxy-1,2-oxazole-5-carboxamide

C11H8BrFN2O3 — CID 71802461

IUPACN-(4-bromo-2-fluorophenyl)-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(Br)cc2F)on1
InChIInChI=1S/C11H8BrFN2O3/c1-17-10-5-9(18-15-10)11(16)14-8-3-2-6(12)4-7(8)13/h2-5H,1H3,(H,14,16)
InChIKeyCNINQOSZVWNVHO-UHFFFAOYSA-N
MW315.10 g/mol
LogP2.84
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-3-methoxy-1,2-oxazole-5-carboxamide

N-(4-bromo-2-fluorophenyl)-3-methoxy-1,2-oxazole-5-carboxamide (PubChem CID 71802461) has the molecular formula C11H8BrFN2O3 and a molecular weight of 315.10 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-methoxy-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-methoxy-1,2-oxazole-5-carboxamide
PubChem CID71802461
Molecular FormulaC11H8BrFN2O3
Molecular Weight315.10 g/mol
Exact Mass313.97
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(Br)cc2F)on1
InChIInChI=1S/C11H8BrFN2O3/c1-17-10-5-9(18-15-10)11(16)14-8-3-2-6(12)4-7(8)13/h2-5H,1H3,(H,14,16)
InChIKeyCNINQOSZVWNVHO-UHFFFAOYSA-N
XLogP2.84
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.10
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-methoxy-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-methoxy-1,2-oxazole-5-carboxamide (CID 71802461) is N-(4-bromo-2-fluorophenyl)-3-methoxy-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-methoxy-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-methoxy-1,2-oxazole-5-carboxamide is COc1cc(C(=O)Nc2ccc(Br)cc2F)on1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-methoxy-1,2-oxazole-5-carboxamide?
The InChIKey is CNINQOSZVWNVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O3/c1-17-10-5-9(18-15-10)11(16)14-8-3-2-6(12)4-7(8)13/h2-5H,1H3,(H,14,16).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-methoxy-1,2-oxazole-5-carboxamide?
N-(4-bromo-2-fluorophenyl)-3-methoxy-1,2-oxazole-5-carboxamide has a molecular weight of 315.10 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-3-methoxy-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71802461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).