3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H13Cl2FN2O2 — CID 83289713

IUPAC3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CC(c2ccc(Cl)cc2Cl)=NO1
InChIInChI=1S/C17H13Cl2FN2O2/c18-11-3-6-13(14(19)7-11)15-8-16(24-22-15)17(23)21-9-10-1-4-12(20)5-2-10/h1-7,16H,8-9H2,(H,21,23)
InChIKeyCHXCYTXBERGASR-UHFFFAOYSA-N
MW367.21 g/mol
LogP3.94
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 83289713) has the molecular formula C17H13Cl2FN2O2 and a molecular weight of 367.21 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID83289713
Molecular FormulaC17H13Cl2FN2O2
Molecular Weight367.21 g/mol
Exact Mass366.03
IUPAC Name3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CC(c2ccc(Cl)cc2Cl)=NO1
InChIInChI=1S/C17H13Cl2FN2O2/c18-11-3-6-13(14(19)7-11)15-8-16(24-22-15)17(23)21-9-10-1-4-12(20)5-2-10/h1-7,16H,8-9H2,(H,21,23)
InChIKeyCHXCYTXBERGASR-UHFFFAOYSA-N
XLogP3.94
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 83289713) is 3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCc1ccc(F)cc1)C1CC(c2ccc(Cl)cc2Cl)=NO1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is CHXCYTXBERGASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2FN2O2/c18-11-3-6-13(14(19)7-11)15-8-16(24-22-15)17(23)21-9-10-1-4-12(20)5-2-10/h1-7,16H,8-9H2,(H,21,23).
What are the key properties of 3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 367.21 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 83289713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).