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

C14H13FN4O2 — CID 19493476

IUPAC3-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCn1ccc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)n1
InChIInChI=1S/C14H13FN4O2/c1-19-7-6-13(17-19)16-14(20)12-8-11(18-21-12)9-2-4-10(15)5-3-9/h2-7,12H,8H2,1H3,(H,16,17,20)
InChIKeyJJARMKPSYIEHFS-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.69
Rot. Bonds3

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

3-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19493476) has the molecular formula C14H13FN4O2 and a molecular weight of 288.28 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID19493476
Molecular FormulaC14H13FN4O2
Molecular Weight288.28 g/mol
Exact Mass288.10
IUPAC Name3-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCn1ccc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)n1
InChIInChI=1S/C14H13FN4O2/c1-19-7-6-13(17-19)16-14(20)12-8-11(18-21-12)9-2-4-10(15)5-3-9/h2-7,12H,8H2,1H3,(H,16,17,20)
InChIKeyJJARMKPSYIEHFS-UHFFFAOYSA-N
XLogP1.69
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19493476) is 3-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is Cn1ccc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)n1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is JJARMKPSYIEHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2/c1-19-7-6-13(17-19)16-14(20)12-8-11(18-21-12)9-2-4-10(15)5-3-9/h2-7,12H,8H2,1H3,(H,16,17,20).
What are the key properties of 3-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 288.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19493476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).