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

C20H16F2N4O2 — CID 19493565

IUPAC3-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2F)c1)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C20H16F2N4O2/c21-15-7-5-13(6-8-15)18-9-19(28-25-18)20(27)24-16-10-23-26(12-16)11-14-3-1-2-4-17(14)22/h1-8,10,12,19H,9,11H2,(H,24,27)
InChIKeyNJKDZIGYXULNNH-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.34
Rot. Bonds5

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

3-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19493565) has the molecular formula C20H16F2N4O2 and a molecular weight of 382.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID19493565
Molecular FormulaC20H16F2N4O2
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC Name3-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2F)c1)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C20H16F2N4O2/c21-15-7-5-13(6-8-15)18-9-19(28-25-18)20(27)24-16-10-23-26(12-16)11-14-3-1-2-4-17(14)22/h1-8,10,12,19H,9,11H2,(H,24,27)
InChIKeyNJKDZIGYXULNNH-UHFFFAOYSA-N
XLogP3.34
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.34
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-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19493565) is 3-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(Nc1cnn(Cc2ccccc2F)c1)C1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is NJKDZIGYXULNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2/c21-15-7-5-13(6-8-15)18-9-19(28-25-18)20(27)24-16-10-23-26(12-16)11-14-3-1-2-4-17(14)22/h1-8,10,12,19H,9,11H2,(H,24,27).
What are the key properties of 3-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 382.37 g/mol, XLogP of 3.34, 5 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-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19493565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).