[2,2,2-trifluoro-1-[4-[4-[[1-methyl-3-(2-oxopyrrolidin-1-yl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]ethyl] carbamate

C20H18F3N7O5 — CID 118065576

IUPAC[2,2,2-trifluoro-1-[4-[4-[[1-methyl-3-(2-oxopyrrolidin-1-yl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]ethyl] carbamate
SMILESCn1cc(NC(=O)c2coc(-c3ccnc(C(OC(N)=O)C(F)(F)F)c3)n2)c(N2CCCC2=O)n1
InChIInChI=1S/C20H18F3N7O5/c1-29-8-12(16(28-29)30-6-2-3-14(30)31)26-17(32)13-9-34-18(27-13)10-4-5-25-11(7-10)15(20(21,22)23)35-19(24)33/h4-5,7-9,15H,2-3,6H2,1H3,(H2,24,33)(H,26,32)
InChIKeyJZEGOBKHKOEIHW-UHFFFAOYSA-N
MW493.40 g/mol
LogP2.55
Rot. Bonds6

About [2,2,2-trifluoro-1-[4-[4-[[1-methyl-3-(2-oxopyrrolidin-1-yl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]ethyl] carbamate

[2,2,2-trifluoro-1-[4-[4-[[1-methyl-3-(2-oxopyrrolidin-1-yl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]ethyl] carbamate (PubChem CID 118065576) has the molecular formula C20H18F3N7O5 and a molecular weight of 493.40 g/mol. Its IUPAC name is [2,2,2-trifluoro-1-[4-[4-[[1-methyl-3-(2-oxopyrrolidin-1-yl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]ethyl] carbamate.

Molecular Properties

Compound Name[2,2,2-trifluoro-1-[4-[4-[[1-methyl-3-(2-oxopyrrolidin-1-yl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]ethyl] carbamate
PubChem CID118065576
Molecular FormulaC20H18F3N7O5
Molecular Weight493.40 g/mol
Exact Mass493.13
IUPAC Name[2,2,2-trifluoro-1-[4-[4-[[1-methyl-3-(2-oxopyrrolidin-1-yl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]ethyl] carbamate
SMILESCn1cc(NC(=O)c2coc(-c3ccnc(C(OC(N)=O)C(F)(F)F)c3)n2)c(N2CCCC2=O)n1
InChIInChI=1S/C20H18F3N7O5/c1-29-8-12(16(28-29)30-6-2-3-14(30)31)26-17(32)13-9-34-18(27-13)10-4-5-25-11(7-10)15(20(21,22)23)35-19(24)33/h4-5,7-9,15H,2-3,6H2,1H3,(H2,24,33)(H,26,32)
InChIKeyJZEGOBKHKOEIHW-UHFFFAOYSA-N
XLogP2.55
TPSA158.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [2,2,2-trifluoro-1-[4-[4-[[1-methyl-3-(2-oxopyrrolidin-1-yl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]ethyl] carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2,2,2-trifluoro-1-[4-[4-[[1-methyl-3-(2-oxopyrrolidin-1-yl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]ethyl] carbamate?
The IUPAC name of [2,2,2-trifluoro-1-[4-[4-[[1-methyl-3-(2-oxopyrrolidin-1-yl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]ethyl] carbamate (CID 118065576) is [2,2,2-trifluoro-1-[4-[4-[[1-methyl-3-(2-oxopyrrolidin-1-yl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]ethyl] carbamate.
What is the SMILES notation for [2,2,2-trifluoro-1-[4-[4-[[1-methyl-3-(2-oxopyrrolidin-1-yl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]ethyl] carbamate?
The canonical SMILES for [2,2,2-trifluoro-1-[4-[4-[[1-methyl-3-(2-oxopyrrolidin-1-yl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]ethyl] carbamate is Cn1cc(NC(=O)c2coc(-c3ccnc(C(OC(N)=O)C(F)(F)F)c3)n2)c(N2CCCC2=O)n1.
What is the InChIKey of [2,2,2-trifluoro-1-[4-[4-[[1-methyl-3-(2-oxopyrrolidin-1-yl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]ethyl] carbamate?
The InChIKey is JZEGOBKHKOEIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N7O5/c1-29-8-12(16(28-29)30-6-2-3-14(30)31)26-17(32)13-9-34-18(27-13)10-4-5-25-11(7-10)15(20(21,22)23)35-19(24)33/h4-5,7-9,15H,2-3,6H2,1H3,(H2,24,33)(H,26,32).
What are the key properties of [2,2,2-trifluoro-1-[4-[4-[[1-methyl-3-(2-oxopyrrolidin-1-yl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]ethyl] carbamate?
[2,2,2-trifluoro-1-[4-[4-[[1-methyl-3-(2-oxopyrrolidin-1-yl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]ethyl] carbamate has a molecular weight of 493.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,2-trifluoro-1-[4-[4-[[1-methyl-3-(2-oxopyrrolidin-1-yl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]ethyl] carbamate is sourced from PubChem (CID 118065576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).