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

C19H27F3N6O5 — CID 66969585

IUPACtert-butyl N-[1-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamate
SMILESCC1CN(CC(CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)NC(=O)OC(C)(C)C)C(=O)O1
InChIInChI=1S/C19H27F3N6O5/c1-11-8-27(17(31)32-11)9-12(23-16(30)33-18(2,3)4)7-14(29)26-5-6-28-13(10-26)24-25-15(28)19(20,21)22/h11-12H,5-10H2,1-4H3,(H,23,30)
InChIKeyOONPNMMKPFKTML-UHFFFAOYSA-N
MW476.46 g/mol
LogP1.76
Rot. Bonds5

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

tert-butyl N-[1-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamate (PubChem CID 66969585) has the molecular formula C19H27F3N6O5 and a molecular weight of 476.46 g/mol. Its IUPAC name is tert-butyl N-[1-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxo-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-[1-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamate
PubChem CID66969585
Molecular FormulaC19H27F3N6O5
Molecular Weight476.46 g/mol
Exact Mass476.20
IUPAC Nametert-butyl N-[1-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamate
SMILESCC1CN(CC(CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)NC(=O)OC(C)(C)C)C(=O)O1
InChIInChI=1S/C19H27F3N6O5/c1-11-8-27(17(31)32-11)9-12(23-16(30)33-18(2,3)4)7-14(29)26-5-6-28-13(10-26)24-25-15(28)19(20,21)22/h11-12H,5-10H2,1-4H3,(H,23,30)
InChIKeyOONPNMMKPFKTML-UHFFFAOYSA-N
XLogP1.76
TPSA118.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.46
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[1-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxo-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-[1-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxo-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-[1-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamate (CID 66969585) is tert-butyl N-[1-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxo-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-[1-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxo-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-[1-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamate is CC1CN(CC(CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)NC(=O)OC(C)(C)C)C(=O)O1.
What is the InChIKey of tert-butyl N-[1-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamate?
The InChIKey is OONPNMMKPFKTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N6O5/c1-11-8-27(17(31)32-11)9-12(23-16(30)33-18(2,3)4)7-14(29)26-5-6-28-13(10-26)24-25-15(28)19(20,21)22/h11-12H,5-10H2,1-4H3,(H,23,30).
What are the key properties of tert-butyl N-[1-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamate?
tert-butyl N-[1-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxo-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 476.46 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxo-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 66969585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).