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

C15H11ClFN5O2 — CID 2962189

IUPAC3-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCn1ncc(C#N)c1NC(=O)C1CC(c2c(F)cccc2Cl)=NO1
InChIInChI=1S/C15H11ClFN5O2/c1-22-14(8(6-18)7-19-22)20-15(23)12-5-11(21-24-12)13-9(16)3-2-4-10(13)17/h2-4,7,12H,5H2,1H3,(H,20,23)
InChIKeyDFBJMPDGAASCPO-UHFFFAOYSA-N
MW347.74 g/mol
LogP2.22
Rot. Bonds3

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

3-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 2962189) has the molecular formula C15H11ClFN5O2 and a molecular weight of 347.74 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID2962189
Molecular FormulaC15H11ClFN5O2
Molecular Weight347.74 g/mol
Exact Mass347.06
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCn1ncc(C#N)c1NC(=O)C1CC(c2c(F)cccc2Cl)=NO1
InChIInChI=1S/C15H11ClFN5O2/c1-22-14(8(6-18)7-19-22)20-15(23)12-5-11(21-24-12)13-9(16)3-2-4-10(13)17/h2-4,7,12H,5H2,1H3,(H,20,23)
InChIKeyDFBJMPDGAASCPO-UHFFFAOYSA-N
XLogP2.22
TPSA92.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.74
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 2962189) is 3-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is Cn1ncc(C#N)c1NC(=O)C1CC(c2c(F)cccc2Cl)=NO1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is DFBJMPDGAASCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN5O2/c1-22-14(8(6-18)7-19-22)20-15(23)12-5-11(21-24-12)13-9(16)3-2-4-10(13)17/h2-4,7,12H,5H2,1H3,(H,20,23).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 347.74 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 2962189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).