3-methoxy-N-[5-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide

C24H22F6N2O3 — CID 155251445

IUPAC3-methoxy-N-[5-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide
SMILESCOCCC(=O)NC1CCc2cc(C3=NO[C@@](c4cccc(C(F)(F)F)c4)(C(F)(F)F)C3)ccc21
InChIInChI=1S/C24H22F6N2O3/c1-34-10-9-21(33)31-19-8-6-14-11-15(5-7-18(14)19)20-13-22(35-32-20,24(28,29)30)16-3-2-4-17(12-16)23(25,26)27/h2-5,7,11-12,19H,6,8-10,13H2,1H3,(H,31,33)/t19?,22-/m0/s1
InChIKeyURSPODFHOATFKW-BPARTEKVSA-N
MW500.44 g/mol
LogP5.43
Rot. Bonds6

About 3-methoxy-N-[5-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide

3-methoxy-N-[5-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide (PubChem CID 155251445) has the molecular formula C24H22F6N2O3 and a molecular weight of 500.44 g/mol. Its IUPAC name is 3-methoxy-N-[5-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[5-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide
PubChem CID155251445
Molecular FormulaC24H22F6N2O3
Molecular Weight500.44 g/mol
Exact Mass500.15
IUPAC Name3-methoxy-N-[5-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide
SMILESCOCCC(=O)NC1CCc2cc(C3=NO[C@@](c4cccc(C(F)(F)F)c4)(C(F)(F)F)C3)ccc21
InChIInChI=1S/C24H22F6N2O3/c1-34-10-9-21(33)31-19-8-6-14-11-15(5-7-18(14)19)20-13-22(35-32-20,24(28,29)30)16-3-2-4-17(12-16)23(25,26)27/h2-5,7,11-12,19H,6,8-10,13H2,1H3,(H,31,33)/t19?,22-/m0/s1
InChIKeyURSPODFHOATFKW-BPARTEKVSA-N
XLogP5.43
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.44
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-N-[5-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[5-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide?
The IUPAC name of 3-methoxy-N-[5-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide (CID 155251445) is 3-methoxy-N-[5-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide.
What is the SMILES notation for 3-methoxy-N-[5-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide?
The canonical SMILES for 3-methoxy-N-[5-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide is COCCC(=O)NC1CCc2cc(C3=NO[C@@](c4cccc(C(F)(F)F)c4)(C(F)(F)F)C3)ccc21.
What is the InChIKey of 3-methoxy-N-[5-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide?
The InChIKey is URSPODFHOATFKW-BPARTEKVSA-N. The full InChI is InChI=1S/C24H22F6N2O3/c1-34-10-9-21(33)31-19-8-6-14-11-15(5-7-18(14)19)20-13-22(35-32-20,24(28,29)30)16-3-2-4-17(12-16)23(25,26)27/h2-5,7,11-12,19H,6,8-10,13H2,1H3,(H,31,33)/t19?,22-/m0/s1.
What are the key properties of 3-methoxy-N-[5-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide?
3-methoxy-N-[5-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide has a molecular weight of 500.44 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[5-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide is sourced from PubChem (CID 155251445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).