3-(4-fluorophenyl)-N-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

C15H12FN3O2 — CID 19491696

IUPAC3-(4-fluorophenyl)-N-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccncc1)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C15H12FN3O2/c16-11-3-1-10(2-4-11)13-9-14(21-19-13)15(20)18-12-5-7-17-8-6-12/h1-8,14H,9H2,(H,17,18,20)
InChIKeyLAAUOBYSPMHUGW-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.35
Rot. Bonds3

About 3-(4-fluorophenyl)-N-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(4-fluorophenyl)-N-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19491696) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID19491696
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name3-(4-fluorophenyl)-N-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccncc1)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C15H12FN3O2/c16-11-3-1-10(2-4-11)13-9-14(21-19-13)15(20)18-12-5-7-17-8-6-12/h1-8,14H,9H2,(H,17,18,20)
InChIKeyLAAUOBYSPMHUGW-UHFFFAOYSA-N
XLogP2.35
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19491696) is 3-(4-fluorophenyl)-N-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(Nc1ccncc1)C1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of 3-(4-fluorophenyl)-N-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is LAAUOBYSPMHUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-11-3-1-10(2-4-11)13-9-14(21-19-13)15(20)18-12-5-7-17-8-6-12/h1-8,14H,9H2,(H,17,18,20).
What are the key properties of 3-(4-fluorophenyl)-N-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-fluorophenyl)-N-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 285.28 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19491696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).