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

C16H14FN3O2 — CID 47028518

IUPAC3-(3-fluorophenyl)-N-(5-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)C2CC(c3cccc(F)c3)=NO2)nc1
InChIInChI=1S/C16H14FN3O2/c1-10-5-6-15(18-9-10)19-16(21)14-8-13(20-22-14)11-3-2-4-12(17)7-11/h2-7,9,14H,8H2,1H3,(H,18,19,21)
InChIKeyUTULWGMINBIGJQ-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.66
Rot. Bonds3

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

3-(3-fluorophenyl)-N-(5-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 47028518) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(5-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(5-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID47028518
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name3-(3-fluorophenyl)-N-(5-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)C2CC(c3cccc(F)c3)=NO2)nc1
InChIInChI=1S/C16H14FN3O2/c1-10-5-6-15(18-9-10)19-16(21)14-8-13(20-22-14)11-3-2-4-12(17)7-11/h2-7,9,14H,8H2,1H3,(H,18,19,21)
InChIKeyUTULWGMINBIGJQ-UHFFFAOYSA-N
XLogP2.66
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-N-(2-tert-butylpyrimidin-5-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95234586
N-(3-acetamidophenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43068886
(5S)-3-(3-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51940815
N-cyclohexyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427951
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43071831
N-(5-chloro-2-methylphenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427536
3-(3-fluorophenyl)-N-(2-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43068940
3-(3-fluorophenyl)-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51132367
(5R)-3-(3-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
CID 97465721
N-(3-chloro-2-fluorophenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427461
3-(3-fluorophenyl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51128349
N-(3,4-diethoxyphenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46436237

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(5-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-N-(5-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 47028518) is 3-(3-fluorophenyl)-N-(5-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(5-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-(5-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1ccc(NC(=O)C2CC(c3cccc(F)c3)=NO2)nc1.
What is the InChIKey of 3-(3-fluorophenyl)-N-(5-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is UTULWGMINBIGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-10-5-6-15(18-9-10)19-16(21)14-8-13(20-22-14)11-3-2-4-12(17)7-11/h2-7,9,14H,8H2,1H3,(H,18,19,21).
What are the key properties of 3-(3-fluorophenyl)-N-(5-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(3-fluorophenyl)-N-(5-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 299.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(5-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 47028518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).