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

C12H13FN2O2 — CID 67636293

IUPAC3-(4-fluorophenyl)-2,5-dimethyl-5H-1,2-oxazole-4-carboxamide
SMILESCC1ON(C)C(c2ccc(F)cc2)=C1C(N)=O
InChIInChI=1S/C12H13FN2O2/c1-7-10(12(14)16)11(15(2)17-7)8-3-5-9(13)6-4-8/h3-7H,1-2H3,(H2,14,16)
InChIKeyODISKLSITCHLHX-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.29
Rot. Bonds2

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

3-(4-fluorophenyl)-2,5-dimethyl-5H-1,2-oxazole-4-carboxamide (PubChem CID 67636293) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2,5-dimethyl-5H-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2,5-dimethyl-5H-1,2-oxazole-4-carboxamide
PubChem CID67636293
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name3-(4-fluorophenyl)-2,5-dimethyl-5H-1,2-oxazole-4-carboxamide
SMILESCC1ON(C)C(c2ccc(F)cc2)=C1C(N)=O
InChIInChI=1S/C12H13FN2O2/c1-7-10(12(14)16)11(15(2)17-7)8-3-5-9(13)6-4-8/h3-7H,1-2H3,(H2,14,16)
InChIKeyODISKLSITCHLHX-UHFFFAOYSA-N
XLogP1.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2,5-dimethyl-5H-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-2,5-dimethyl-5H-1,2-oxazole-4-carboxamide (CID 67636293) is 3-(4-fluorophenyl)-2,5-dimethyl-5H-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-2,5-dimethyl-5H-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-2,5-dimethyl-5H-1,2-oxazole-4-carboxamide is CC1ON(C)C(c2ccc(F)cc2)=C1C(N)=O.
What is the InChIKey of 3-(4-fluorophenyl)-2,5-dimethyl-5H-1,2-oxazole-4-carboxamide?
The InChIKey is ODISKLSITCHLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-7-10(12(14)16)11(15(2)17-7)8-3-5-9(13)6-4-8/h3-7H,1-2H3,(H2,14,16).
What are the key properties of 3-(4-fluorophenyl)-2,5-dimethyl-5H-1,2-oxazole-4-carboxamide?
3-(4-fluorophenyl)-2,5-dimethyl-5H-1,2-oxazole-4-carboxamide has a molecular weight of 236.25 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2,5-dimethyl-5H-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 67636293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).