N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide

C19H13F2N5O2 — CID 146220549

About N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide (PubChem CID 146220549) has the molecular formula C19H13F2N5O2 and a molecular weight of 381.34 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide
• PubChem CID: 146220549
• Molecular Formula: C19H13F2N5O2
• Molecular Weight: 381.34 g/mol
• Exact Mass: 381.10
• IUPAC Name: N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide
• SMILES: O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cc(-c2ncccc2F)on1
• InChI: InChI=1S/C19H13F2N5O2/c20-13-4-1-3-12(7-13)10-26-11-14(9-23-26)24-19(27)16-8-17(28-25-16)18-15(21)5-2-6-22-18/h1-9,11H,10H2,(H,24,27)
• InChIKey: VMDYSIORBHDRQP-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.34
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide (CID 146220549) is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide is O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cc(-c2ncccc2F)on1.

What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide?

The InChIKey is VMDYSIORBHDRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5O2/c20-13-4-1-3-12(7-13)10-26-11-14(9-23-26)24-19(27)16-8-17(28-25-16)18-15(21)5-2-6-22-18/h1-9,11H,10H2,(H,24,27).

What are the key properties of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide?

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide has a molecular weight of 381.34 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146220549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).