tert-butyl 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylate

C20H25FN2O5 — CID 23441499

IUPACtert-butyl 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylate
SMILESCC(=O)NCC1CN(c2ccc(C3(C(=O)OC(C)(C)C)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H25FN2O5/c1-12(24)22-10-14-11-23(18(26)27-14)13-5-6-15(16(21)9-13)20(7-8-20)17(25)28-19(2,3)4/h5-6,9,14H,7-8,10-11H2,1-4H3,(H,22,24)
InChIKeyBBAGBJNZSKKPCM-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.66
Rot. Bonds5

About tert-butyl 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylate

tert-butyl 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylate (PubChem CID 23441499) has the molecular formula C20H25FN2O5 and a molecular weight of 392.43 g/mol. Its IUPAC name is tert-butyl 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylate
PubChem CID23441499
Molecular FormulaC20H25FN2O5
Molecular Weight392.43 g/mol
Exact Mass392.17
IUPAC Nametert-butyl 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylate
SMILESCC(=O)NCC1CN(c2ccc(C3(C(=O)OC(C)(C)C)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H25FN2O5/c1-12(24)22-10-14-11-23(18(26)27-14)13-5-6-15(16(21)9-13)20(7-8-20)17(25)28-19(2,3)4/h5-6,9,14H,7-8,10-11H2,1-4H3,(H,22,24)
InChIKeyBBAGBJNZSKKPCM-UHFFFAOYSA-N
XLogP2.66
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylate?
The IUPAC name of tert-butyl 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylate (CID 23441499) is tert-butyl 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylate is CC(=O)NCC1CN(c2ccc(C3(C(=O)OC(C)(C)C)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of tert-butyl 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylate?
The InChIKey is BBAGBJNZSKKPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O5/c1-12(24)22-10-14-11-23(18(26)27-14)13-5-6-15(16(21)9-13)20(7-8-20)17(25)28-19(2,3)4/h5-6,9,14H,7-8,10-11H2,1-4H3,(H,22,24).
What are the key properties of tert-butyl 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylate?
tert-butyl 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylate has a molecular weight of 392.43 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 23441499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).