3-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C15H12Cl2N2O3 — CID 11958800

IUPAC3-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccco1)C1CC(c2c(Cl)cccc2Cl)=NO1
InChIInChI=1S/C15H12Cl2N2O3/c16-10-4-1-5-11(17)14(10)12-7-13(22-19-12)15(20)18-8-9-3-2-6-21-9/h1-6,13H,7-8H2,(H,18,20)
InChIKeyXVGVYHSNJBVBAT-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.40
Rot. Bonds4

About 3-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 11958800) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID11958800
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Name3-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccco1)C1CC(c2c(Cl)cccc2Cl)=NO1
InChIInChI=1S/C15H12Cl2N2O3/c16-10-4-1-5-11(17)14(10)12-7-13(22-19-12)15(20)18-8-9-3-2-6-21-9/h1-6,13H,7-8H2,(H,18,20)
InChIKeyXVGVYHSNJBVBAT-UHFFFAOYSA-N
XLogP3.40
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 11958800) is 3-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCc1ccco1)C1CC(c2c(Cl)cccc2Cl)=NO1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is XVGVYHSNJBVBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c16-10-4-1-5-11(17)14(10)12-7-13(22-19-12)15(20)18-8-9-3-2-6-21-9/h1-6,13H,7-8H2,(H,18,20).
What are the key properties of 3-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 339.18 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 11958800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).