tert-butyl N-[4-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamate

C18H25F3N6O5 — CID 66969232

IUPACtert-butyl N-[4-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)CN1CCOC1=O
InChIInChI=1S/C18H25F3N6O5/c1-17(2,3)32-15(29)22-11(9-26-6-7-31-16(26)30)8-13(28)25-4-5-27-12(10-25)23-24-14(27)18(19,20)21/h11H,4-10H2,1-3H3,(H,22,29)
InChIKeyZCBNJNANXDFDHN-UHFFFAOYSA-N
MW462.43 g/mol
LogP1.37
Rot. Bonds5

About tert-butyl N-[4-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamate

tert-butyl N-[4-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamate (PubChem CID 66969232) has the molecular formula C18H25F3N6O5 and a molecular weight of 462.43 g/mol. Its IUPAC name is tert-butyl N-[4-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamate
PubChem CID66969232
Molecular FormulaC18H25F3N6O5
Molecular Weight462.43 g/mol
Exact Mass462.18
IUPAC Nametert-butyl N-[4-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)CN1CCOC1=O
InChIInChI=1S/C18H25F3N6O5/c1-17(2,3)32-15(29)22-11(9-26-6-7-31-16(26)30)8-13(28)25-4-5-27-12(10-25)23-24-14(27)18(19,20)21/h11H,4-10H2,1-3H3,(H,22,29)
InChIKeyZCBNJNANXDFDHN-UHFFFAOYSA-N
XLogP1.37
TPSA118.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.43
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[4-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamate (CID 66969232) is tert-butyl N-[4-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamate is CC(C)(C)OC(=O)NC(CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)CN1CCOC1=O.
What is the InChIKey of tert-butyl N-[4-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamate?
The InChIKey is ZCBNJNANXDFDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N6O5/c1-17(2,3)32-15(29)22-11(9-26-6-7-31-16(26)30)8-13(28)25-4-5-27-12(10-25)23-24-14(27)18(19,20)21/h11H,4-10H2,1-3H3,(H,22,29).
What are the key properties of tert-butyl N-[4-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamate?
tert-butyl N-[4-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamate has a molecular weight of 462.43 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamate is sourced from PubChem (CID 66969232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).