N-(furan-2-ylmethyl)-2-[[[(1S)-1-phenylethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide

C26H24F3N3O3 — CID 93157980

IUPACN-(furan-2-ylmethyl)-2-[[[(1S)-1-phenylethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide
SMILESC[C@@H](c1ccccc1)N(Cc1nc(C(=O)NCc2ccco2)co1)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C26H24F3N3O3/c1-18(19-8-3-2-4-9-19)32(15-20-10-5-6-12-22(20)26(27,28)29)16-24-31-23(17-35-24)25(33)30-14-21-11-7-13-34-21/h2-13,17-18H,14-16H2,1H3,(H,30,33)/t18-/m0/s1
InChIKeyVUIPMOBWMVPOHU-SFHVURJKSA-N
MW483.49 g/mol
LogP5.98
Rot. Bonds9

About N-(furan-2-ylmethyl)-2-[[[(1S)-1-phenylethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide

N-(furan-2-ylmethyl)-2-[[[(1S)-1-phenylethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 93157980) has the molecular formula C26H24F3N3O3 and a molecular weight of 483.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[[(1S)-1-phenylethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[[(1S)-1-phenylethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide
PubChem CID93157980
Molecular FormulaC26H24F3N3O3
Molecular Weight483.49 g/mol
Exact Mass483.18
IUPAC NameN-(furan-2-ylmethyl)-2-[[[(1S)-1-phenylethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide
SMILESC[C@@H](c1ccccc1)N(Cc1nc(C(=O)NCc2ccco2)co1)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C26H24F3N3O3/c1-18(19-8-3-2-4-9-19)32(15-20-10-5-6-12-22(20)26(27,28)29)16-24-31-23(17-35-24)25(33)30-14-21-11-7-13-34-21/h2-13,17-18H,14-16H2,1H3,(H,30,33)/t18-/m0/s1
InChIKeyVUIPMOBWMVPOHU-SFHVURJKSA-N
XLogP5.98
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.49
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[[(1S)-1-phenylethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[[(1S)-1-phenylethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide (CID 93157980) is N-(furan-2-ylmethyl)-2-[[[(1S)-1-phenylethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[[(1S)-1-phenylethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[[(1S)-1-phenylethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide is C[C@@H](c1ccccc1)N(Cc1nc(C(=O)NCc2ccco2)co1)Cc1ccccc1C(F)(F)F.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[[(1S)-1-phenylethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is VUIPMOBWMVPOHU-SFHVURJKSA-N. The full InChI is InChI=1S/C26H24F3N3O3/c1-18(19-8-3-2-4-9-19)32(15-20-10-5-6-12-22(20)26(27,28)29)16-24-31-23(17-35-24)25(33)30-14-21-11-7-13-34-21/h2-13,17-18H,14-16H2,1H3,(H,30,33)/t18-/m0/s1.
What are the key properties of N-(furan-2-ylmethyl)-2-[[[(1S)-1-phenylethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide?
N-(furan-2-ylmethyl)-2-[[[(1S)-1-phenylethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 483.49 g/mol, XLogP of 5.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[[(1S)-1-phenylethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 93157980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).