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

C20H16ClFN4O2 — CID 2962183

IUPAC3-(2-chloro-6-fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1cc(NC(=O)C2CC(c3c(F)cccc3Cl)=NO2)n(-c2ccccc2)n1
InChIInChI=1S/C20H16ClFN4O2/c1-12-10-18(26(24-12)13-6-3-2-4-7-13)23-20(27)17-11-16(25-28-17)19-14(21)8-5-9-15(19)22/h2-10,17H,11H2,1H3,(H,23,27)
InChIKeyHUWSDCVBZSRFOM-UHFFFAOYSA-N
MW398.83 g/mol
LogP4.10
Rot. Bonds4

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

3-(2-chloro-6-fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 2962183) has the molecular formula C20H16ClFN4O2 and a molecular weight of 398.83 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID2962183
Molecular FormulaC20H16ClFN4O2
Molecular Weight398.83 g/mol
Exact Mass398.09
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1cc(NC(=O)C2CC(c3c(F)cccc3Cl)=NO2)n(-c2ccccc2)n1
InChIInChI=1S/C20H16ClFN4O2/c1-12-10-18(26(24-12)13-6-3-2-4-7-13)23-20(27)17-11-16(25-28-17)19-14(21)8-5-9-15(19)22/h2-10,17H,11H2,1H3,(H,23,27)
InChIKeyHUWSDCVBZSRFOM-UHFFFAOYSA-N
XLogP4.10
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.83
LogP ≤ 54.10
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-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 2962183) is 3-(2-chloro-6-fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1cc(NC(=O)C2CC(c3c(F)cccc3Cl)=NO2)n(-c2ccccc2)n1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is HUWSDCVBZSRFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O2/c1-12-10-18(26(24-12)13-6-3-2-4-7-13)23-20(27)17-11-16(25-28-17)19-14(21)8-5-9-15(19)22/h2-10,17H,11H2,1H3,(H,23,27).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2-chloro-6-fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 398.83 g/mol, XLogP of 4.10, 4 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-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 2962183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).