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

C12H11FN2O2 — CID 2304303

IUPACN-(4-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H11FN2O2/c1-7-11(8(2)17-15-7)12(16)14-10-5-3-9(13)4-6-10/h3-6H,1-2H3,(H,14,16)
InChIKeyXMFGYLAMMVOART-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.68
Rot. Bonds2

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

N-(4-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 2304303) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID2304303
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC NameN-(4-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H11FN2O2/c1-7-11(8(2)17-15-7)12(16)14-10-5-3-9(13)4-6-10/h3-6H,1-2H3,(H,14,16)
InChIKeyXMFGYLAMMVOART-UHFFFAOYSA-N
XLogP2.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5-amino-N-(2-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
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Mls003170801
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N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
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N-(4-cyanophenyl)-3,5-dimethylisoxazole-4-carboxamide
CID 2741509
3,7-Dimethyl-5-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one
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CID 4791027
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CID 7669432

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 2304303) is N-(4-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is XMFGYLAMMVOART-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-7-11(8(2)17-15-7)12(16)14-10-5-3-9(13)4-6-10/h3-6H,1-2H3,(H,14,16).
What are the key properties of N-(4-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(4-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 234.23 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2304303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).