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

C17H14F2N2O2 — CID 17095799

IUPAC3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CC(c2ccccc2F)=NO1
InChIInChI=1S/C17H14F2N2O2/c18-12-7-5-11(6-8-12)10-20-17(22)16-9-15(21-23-16)13-3-1-2-4-14(13)19/h1-8,16H,9-10H2,(H,20,22)
InChIKeyBDOTUJNTYCEVAA-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.77
Rot. Bonds4

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

3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 17095799) has the molecular formula C17H14F2N2O2 and a molecular weight of 316.31 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID17095799
Molecular FormulaC17H14F2N2O2
Molecular Weight316.31 g/mol
Exact Mass316.10
IUPAC Name3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CC(c2ccccc2F)=NO1
InChIInChI=1S/C17H14F2N2O2/c18-12-7-5-11(6-8-12)10-20-17(22)16-9-15(21-23-16)13-3-1-2-4-14(13)19/h1-8,16H,9-10H2,(H,20,22)
InChIKeyBDOTUJNTYCEVAA-UHFFFAOYSA-N
XLogP2.77
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 17095799) is 3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCc1ccc(F)cc1)C1CC(c2ccccc2F)=NO1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is BDOTUJNTYCEVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2/c18-12-7-5-11(6-8-12)10-20-17(22)16-9-15(21-23-16)13-3-1-2-4-14(13)19/h1-8,16H,9-10H2,(H,20,22).
What are the key properties of 3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 316.31 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17095799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).