3-(4-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide

C17H16FN3O2 — CID 102551797

IUPAC3-(4-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)C2(C)CC(c3ccc(F)cc3)=NO2)nc1
InChIInChI=1S/C17H16FN3O2/c1-11-3-8-15(19-10-11)20-16(22)17(2)9-14(21-23-17)12-4-6-13(18)7-5-12/h3-8,10H,9H2,1-2H3,(H,19,20,22)
InChIKeyRNHMATWKSCAKOG-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.05
Rot. Bonds3

About 3-(4-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide

3-(4-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide (PubChem CID 102551797) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
PubChem CID102551797
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name3-(4-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)C2(C)CC(c3ccc(F)cc3)=NO2)nc1
InChIInChI=1S/C17H16FN3O2/c1-11-3-8-15(19-10-11)20-16(22)17(2)9-14(21-23-17)12-4-6-13(18)7-5-12/h3-8,10H,9H2,1-2H3,(H,19,20,22)
InChIKeyRNHMATWKSCAKOG-UHFFFAOYSA-N
XLogP3.05
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-3-(4-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
CID 100815723
(5R)-3-(3-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
CID 97465721
3-(4-fluorophenyl)-5-methyl-N-(1-methylpyrazol-3-yl)-4H-1,2-oxazole-5-carboxamide
CID 102551864
3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 102551800
(5R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 100815919
(5R)-3-(4-fluorophenyl)-5-methyl-N-propyl-4H-1,2-oxazole-5-carboxamide
CID 100815886
N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 46951661
(5R)-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 51688209
(5S)-3-(3-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
CID 97465718
(5S)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465358
(5S)-5-methyl-N-(6-methyl-2-pyridinyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465352
(5S)-3-(4-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 100815902

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide (CID 102551797) is 3-(4-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide is Cc1ccc(NC(=O)C2(C)CC(c3ccc(F)cc3)=NO2)nc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide?
The InChIKey is RNHMATWKSCAKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-11-3-8-15(19-10-11)20-16(22)17(2)9-14(21-23-17)12-4-6-13(18)7-5-12/h3-8,10H,9H2,1-2H3,(H,19,20,22).
What are the key properties of 3-(4-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide?
3-(4-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide has a molecular weight of 313.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 102551797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).