3-(4-fluorophenyl)-N-(1-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H17FN2O2 — CID 17095764

IUPAC3-(4-fluorophenyl)-N-(1-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(NC(=O)C1CC(c2ccc(F)cc2)=NO1)c1ccccc1
InChIInChI=1S/C18H17FN2O2/c1-12(13-5-3-2-4-6-13)20-18(22)17-11-16(21-23-17)14-7-9-15(19)10-8-14/h2-10,12,17H,11H2,1H3,(H,20,22)
InChIKeyCSBOPSYQDDROIM-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.20
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(1-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(4-fluorophenyl)-N-(1-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 17095764) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(1-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(1-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID17095764
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name3-(4-fluorophenyl)-N-(1-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(NC(=O)C1CC(c2ccc(F)cc2)=NO1)c1ccccc1
InChIInChI=1S/C18H17FN2O2/c1-12(13-5-3-2-4-6-13)20-18(22)17-11-16(21-23-17)14-7-9-15(19)10-8-14/h2-10,12,17H,11H2,1H3,(H,20,22)
InChIKeyCSBOPSYQDDROIM-UHFFFAOYSA-N
XLogP3.20
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(1-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(1-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 17095764) is 3-(4-fluorophenyl)-N-(1-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(1-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(1-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CC(NC(=O)C1CC(c2ccc(F)cc2)=NO1)c1ccccc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(1-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is CSBOPSYQDDROIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-12(13-5-3-2-4-6-13)20-18(22)17-11-16(21-23-17)14-7-9-15(19)10-8-14/h2-10,12,17H,11H2,1H3,(H,20,22).
What are the key properties of 3-(4-fluorophenyl)-N-(1-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-fluorophenyl)-N-(1-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 312.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(1-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17095764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).