3-(2-chloro-6-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C20H15ClF2N4O2 — CID 19489535

IUPAC3-(2-chloro-6-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccn(Cc2ccc(F)cc2)n1)C1CC(c2c(F)cccc2Cl)=NO1
InChIInChI=1S/C20H15ClF2N4O2/c21-14-2-1-3-15(23)19(14)16-10-17(29-26-16)20(28)24-18-8-9-27(25-18)11-12-4-6-13(22)7-5-12/h1-9,17H,10-11H2,(H,24,25,28)
InChIKeyCYAROZTUJLKSEK-UHFFFAOYSA-N
MW416.82 g/mol
LogP3.99
Rot. Bonds5

About 3-(2-chloro-6-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(2-chloro-6-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19489535) has the molecular formula C20H15ClF2N4O2 and a molecular weight of 416.82 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID19489535
Molecular FormulaC20H15ClF2N4O2
Molecular Weight416.82 g/mol
Exact Mass416.09
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccn(Cc2ccc(F)cc2)n1)C1CC(c2c(F)cccc2Cl)=NO1
InChIInChI=1S/C20H15ClF2N4O2/c21-14-2-1-3-15(23)19(14)16-10-17(29-26-16)20(28)24-18-8-9-27(25-18)11-12-4-6-13(22)7-5-12/h1-9,17H,10-11H2,(H,24,25,28)
InChIKeyCYAROZTUJLKSEK-UHFFFAOYSA-N
XLogP3.99
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.82
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19489535) is 3-(2-chloro-6-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(Nc1ccn(Cc2ccc(F)cc2)n1)C1CC(c2c(F)cccc2Cl)=NO1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is CYAROZTUJLKSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N4O2/c21-14-2-1-3-15(23)19(14)16-10-17(29-26-16)20(28)24-18-8-9-27(25-18)11-12-4-6-13(22)7-5-12/h1-9,17H,10-11H2,(H,24,25,28).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2-chloro-6-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 416.82 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19489535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).