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

C17H19FN4O2 — CID 19493469

IUPAC3-(4-fluorophenyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1cnn(CCCNC(=O)C2CC(c3ccc(F)cc3)=NO2)c1
InChIInChI=1S/C17H19FN4O2/c1-12-10-20-22(11-12)8-2-7-19-17(23)16-9-15(21-24-16)13-3-5-14(18)6-4-13/h3-6,10-11,16H,2,7-9H2,1H3,(H,19,23)
InChIKeyMJKLHEHTDXLPAJ-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.03
Rot. Bonds6

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

3-(4-fluorophenyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19493469) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID19493469
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name3-(4-fluorophenyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1cnn(CCCNC(=O)C2CC(c3ccc(F)cc3)=NO2)c1
InChIInChI=1S/C17H19FN4O2/c1-12-10-20-22(11-12)8-2-7-19-17(23)16-9-15(21-24-16)13-3-5-14(18)6-4-13/h3-6,10-11,16H,2,7-9H2,1H3,(H,19,23)
InChIKeyMJKLHEHTDXLPAJ-UHFFFAOYSA-N
XLogP2.03
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19493469) is 3-(4-fluorophenyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1cnn(CCCNC(=O)C2CC(c3ccc(F)cc3)=NO2)c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is MJKLHEHTDXLPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-12-10-20-22(11-12)8-2-7-19-17(23)16-9-15(21-24-16)13-3-5-14(18)6-4-13/h3-6,10-11,16H,2,7-9H2,1H3,(H,19,23).
What are the key properties of 3-(4-fluorophenyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-fluorophenyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19493469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).