[(1S)-2,2-dimethyl-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propyl] N-[(3S)-1,2-dioxo-1-[(2-oxo-1,3-oxazolidin-3-yl)amino]heptan-3-yl]carbamate

C25H30F3N5O7 — CID 10303386

IUPAC[(1S)-2,2-dimethyl-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propyl] N-[(3S)-1,2-dioxo-1-[(2-oxo-1,3-oxazolidin-3-yl)amino]heptan-3-yl]carbamate
SMILESCCCC[C@H](NC(=O)O[C@H](c1nnc(-c2ccc(C(F)(F)F)cc2)o1)C(C)(C)C)C(=O)C(=O)NN1CCOC1=O
InChIInChI=1S/C25H30F3N5O7/c1-5-6-7-16(17(34)19(35)32-33-12-13-38-23(33)37)29-22(36)39-18(24(2,3)4)21-31-30-20(40-21)14-8-10-15(11-9-14)25(26,27)28/h8-11,16,18H,5-7,12-13H2,1-4H3,(H,29,36)(H,32,35)/t16-,18+/m0/s1
InChIKeyBESQMWNKQQLDPC-FUHWJXTLSA-N
MW569.54 g/mol
LogP4.18
Rot. Bonds10

About [(1S)-2,2-dimethyl-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propyl] N-[(3S)-1,2-dioxo-1-[(2-oxo-1,3-oxazolidin-3-yl)amino]heptan-3-yl]carbamate

[(1S)-2,2-dimethyl-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propyl] N-[(3S)-1,2-dioxo-1-[(2-oxo-1,3-oxazolidin-3-yl)amino]heptan-3-yl]carbamate (PubChem CID 10303386) has the molecular formula C25H30F3N5O7 and a molecular weight of 569.54 g/mol. Its IUPAC name is [(1S)-2,2-dimethyl-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propyl] N-[(3S)-1,2-dioxo-1-[(2-oxo-1,3-oxazolidin-3-yl)amino]heptan-3-yl]carbamate.

Molecular Properties

Compound Name[(1S)-2,2-dimethyl-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propyl] N-[(3S)-1,2-dioxo-1-[(2-oxo-1,3-oxazolidin-3-yl)amino]heptan-3-yl]carbamate
PubChem CID10303386
Molecular FormulaC25H30F3N5O7
Molecular Weight569.54 g/mol
Exact Mass569.21
IUPAC Name[(1S)-2,2-dimethyl-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propyl] N-[(3S)-1,2-dioxo-1-[(2-oxo-1,3-oxazolidin-3-yl)amino]heptan-3-yl]carbamate
SMILESCCCC[C@H](NC(=O)O[C@H](c1nnc(-c2ccc(C(F)(F)F)cc2)o1)C(C)(C)C)C(=O)C(=O)NN1CCOC1=O
InChIInChI=1S/C25H30F3N5O7/c1-5-6-7-16(17(34)19(35)32-33-12-13-38-23(33)37)29-22(36)39-18(24(2,3)4)21-31-30-20(40-21)14-8-10-15(11-9-14)25(26,27)28/h8-11,16,18H,5-7,12-13H2,1-4H3,(H,29,36)(H,32,35)/t16-,18+/m0/s1
InChIKeyBESQMWNKQQLDPC-FUHWJXTLSA-N
XLogP4.18
TPSA152.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.54
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze [(1S)-2,2-dimethyl-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propyl] N-[(3S)-1,2-dioxo-1-[(2-oxo-1,3-oxazolidin-3-yl)amino]heptan-3-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2,2-dimethyl-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propyl] N-[(3S)-1,2-dioxo-1-[(2-oxo-1,3-oxazolidin-3-yl)amino]heptan-3-yl]carbamate?
The IUPAC name of [(1S)-2,2-dimethyl-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propyl] N-[(3S)-1,2-dioxo-1-[(2-oxo-1,3-oxazolidin-3-yl)amino]heptan-3-yl]carbamate (CID 10303386) is [(1S)-2,2-dimethyl-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propyl] N-[(3S)-1,2-dioxo-1-[(2-oxo-1,3-oxazolidin-3-yl)amino]heptan-3-yl]carbamate.
What is the SMILES notation for [(1S)-2,2-dimethyl-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propyl] N-[(3S)-1,2-dioxo-1-[(2-oxo-1,3-oxazolidin-3-yl)amino]heptan-3-yl]carbamate?
The canonical SMILES for [(1S)-2,2-dimethyl-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propyl] N-[(3S)-1,2-dioxo-1-[(2-oxo-1,3-oxazolidin-3-yl)amino]heptan-3-yl]carbamate is CCCC[C@H](NC(=O)O[C@H](c1nnc(-c2ccc(C(F)(F)F)cc2)o1)C(C)(C)C)C(=O)C(=O)NN1CCOC1=O.
What is the InChIKey of [(1S)-2,2-dimethyl-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propyl] N-[(3S)-1,2-dioxo-1-[(2-oxo-1,3-oxazolidin-3-yl)amino]heptan-3-yl]carbamate?
The InChIKey is BESQMWNKQQLDPC-FUHWJXTLSA-N. The full InChI is InChI=1S/C25H30F3N5O7/c1-5-6-7-16(17(34)19(35)32-33-12-13-38-23(33)37)29-22(36)39-18(24(2,3)4)21-31-30-20(40-21)14-8-10-15(11-9-14)25(26,27)28/h8-11,16,18H,5-7,12-13H2,1-4H3,(H,29,36)(H,32,35)/t16-,18+/m0/s1.
What are the key properties of [(1S)-2,2-dimethyl-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propyl] N-[(3S)-1,2-dioxo-1-[(2-oxo-1,3-oxazolidin-3-yl)amino]heptan-3-yl]carbamate?
[(1S)-2,2-dimethyl-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propyl] N-[(3S)-1,2-dioxo-1-[(2-oxo-1,3-oxazolidin-3-yl)amino]heptan-3-yl]carbamate has a molecular weight of 569.54 g/mol, XLogP of 4.18, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2,2-dimethyl-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propyl] N-[(3S)-1,2-dioxo-1-[(2-oxo-1,3-oxazolidin-3-yl)amino]heptan-3-yl]carbamate is sourced from PubChem (CID 10303386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).