3-(2-chloro-6-fluorophenyl)-N-(2-pyrazol-1-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C15H14ClFN4O2 — CID 19491378

IUPAC3-(2-chloro-6-fluorophenyl)-N-(2-pyrazol-1-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCCn1cccn1)C1CC(c2c(F)cccc2Cl)=NO1
InChIInChI=1S/C15H14ClFN4O2/c16-10-3-1-4-11(17)14(10)12-9-13(23-20-12)15(22)18-6-8-21-7-2-5-19-21/h1-5,7,13H,6,8-9H2,(H,18,22)
InChIKeyVZFUWDKKNWHGLC-UHFFFAOYSA-N
MW336.75 g/mol
LogP1.99
Rot. Bonds5

About 3-(2-chloro-6-fluorophenyl)-N-(2-pyrazol-1-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(2-chloro-6-fluorophenyl)-N-(2-pyrazol-1-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19491378) has the molecular formula C15H14ClFN4O2 and a molecular weight of 336.75 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-(2-pyrazol-1-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-(2-pyrazol-1-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID19491378
Molecular FormulaC15H14ClFN4O2
Molecular Weight336.75 g/mol
Exact Mass336.08
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-(2-pyrazol-1-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCCn1cccn1)C1CC(c2c(F)cccc2Cl)=NO1
InChIInChI=1S/C15H14ClFN4O2/c16-10-3-1-4-11(17)14(10)12-9-13(23-20-12)15(22)18-6-8-21-7-2-5-19-21/h1-5,7,13H,6,8-9H2,(H,18,22)
InChIKeyVZFUWDKKNWHGLC-UHFFFAOYSA-N
XLogP1.99
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.75
LogP ≤ 51.99
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-(2-pyrazol-1-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-(2-pyrazol-1-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19491378) is 3-(2-chloro-6-fluorophenyl)-N-(2-pyrazol-1-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-(2-pyrazol-1-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-(2-pyrazol-1-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCCn1cccn1)C1CC(c2c(F)cccc2Cl)=NO1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-(2-pyrazol-1-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is VZFUWDKKNWHGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN4O2/c16-10-3-1-4-11(17)14(10)12-9-13(23-20-12)15(22)18-6-8-21-7-2-5-19-21/h1-5,7,13H,6,8-9H2,(H,18,22).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-(2-pyrazol-1-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2-chloro-6-fluorophenyl)-N-(2-pyrazol-1-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 336.75 g/mol, XLogP of 1.99, 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-(2-pyrazol-1-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19491378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).