tert-butyl N-[1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazol-4-yl]carbamate

C20H24FN5O5 — CID 10550733

IUPACtert-butyl N-[1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazol-4-yl]carbamate
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3cc(NC(=O)OC(C)(C)C)cn3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H24FN5O5/c1-12(27)22-9-15-11-25(19(29)30-15)14-5-6-17(16(21)7-14)26-10-13(8-23-26)24-18(28)31-20(2,3)4/h5-8,10,15H,9,11H2,1-4H3,(H,22,27)(H,24,28)/t15-/m0/s1
InChIKeySJZORSJYTHEDBP-HNNXBMFYSA-N
MW433.44 g/mol
LogP2.82
Rot. Bonds5

About tert-butyl N-[1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazol-4-yl]carbamate

tert-butyl N-[1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazol-4-yl]carbamate (PubChem CID 10550733) has the molecular formula C20H24FN5O5 and a molecular weight of 433.44 g/mol. Its IUPAC name is tert-butyl N-[1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazol-4-yl]carbamate
PubChem CID10550733
Molecular FormulaC20H24FN5O5
Molecular Weight433.44 g/mol
Exact Mass433.18
IUPAC Nametert-butyl N-[1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazol-4-yl]carbamate
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3cc(NC(=O)OC(C)(C)C)cn3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H24FN5O5/c1-12(27)22-9-15-11-25(19(29)30-15)14-5-6-17(16(21)7-14)26-10-13(8-23-26)24-18(28)31-20(2,3)4/h5-8,10,15H,9,11H2,1-4H3,(H,22,27)(H,24,28)/t15-/m0/s1
InChIKeySJZORSJYTHEDBP-HNNXBMFYSA-N
XLogP2.82
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazol-4-yl]carbamate (CID 10550733) is tert-butyl N-[1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazol-4-yl]carbamate is CC(=O)NC[C@H]1CN(c2ccc(-n3cc(NC(=O)OC(C)(C)C)cn3)c(F)c2)C(=O)O1.
What is the InChIKey of tert-butyl N-[1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazol-4-yl]carbamate?
The InChIKey is SJZORSJYTHEDBP-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24FN5O5/c1-12(27)22-9-15-11-25(19(29)30-15)14-5-6-17(16(21)7-14)26-10-13(8-23-26)24-18(28)31-20(2,3)4/h5-8,10,15H,9,11H2,1-4H3,(H,22,27)(H,24,28)/t15-/m0/s1.
What are the key properties of tert-butyl N-[1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazol-4-yl]carbamate?
tert-butyl N-[1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazol-4-yl]carbamate has a molecular weight of 433.44 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazol-4-yl]carbamate is sourced from PubChem (CID 10550733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).