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

C26H30FN3O5 — CID 72778100

IUPACtert-butyl N-[1-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-fluorophenyl]cyclopropyl]carbamate
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc(C4(NC(=O)OC(C)(C)C)CC4)c(F)c3)cc2)C(=O)O1
InChIInChI=1S/C26H30FN3O5/c1-16(31)28-14-20-15-30(24(33)34-20)19-8-5-17(6-9-19)18-7-10-21(22(27)13-18)26(11-12-26)29-23(32)35-25(2,3)4/h5-10,13,20H,11-12,14-15H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyLRTNWXAIOFSWTK-UHFFFAOYSA-N
MW483.54 g/mol
LogP4.47
Rot. Bonds6

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

tert-butyl N-[1-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-fluorophenyl]cyclopropyl]carbamate (PubChem CID 72778100) has the molecular formula C26H30FN3O5 and a molecular weight of 483.54 g/mol. Its IUPAC name is tert-butyl N-[1-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-fluorophenyl]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-fluorophenyl]cyclopropyl]carbamate
PubChem CID72778100
Molecular FormulaC26H30FN3O5
Molecular Weight483.54 g/mol
Exact Mass483.22
IUPAC Nametert-butyl N-[1-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-fluorophenyl]cyclopropyl]carbamate
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc(C4(NC(=O)OC(C)(C)C)CC4)c(F)c3)cc2)C(=O)O1
InChIInChI=1S/C26H30FN3O5/c1-16(31)28-14-20-15-30(24(33)34-20)19-8-5-17(6-9-19)18-7-10-21(22(27)13-18)26(11-12-26)29-23(32)35-25(2,3)4/h5-10,13,20H,11-12,14-15H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyLRTNWXAIOFSWTK-UHFFFAOYSA-N
XLogP4.47
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-fluorophenyl]cyclopropyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]carbamate
CID 139949494
1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylic acid
CID 10286662
tert-butyl (1S,5R)-6-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-fluorophenyl]-6-isocyano-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 59853956
tert-butyl N-[[(5S)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 67539880
tert-butyl 3-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 20771012
N-[[(5S)-3-[3-fluoro-4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15433046
N-[[(5S)-3-[3-fluoro-4-(1,1,4-trihydroxy-2,3-dihydrothiopyran-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 69356147
N-[[(5S)-3-[3-fluoro-4-(4-fluoro-1,1-dihydroxy-2,3-dihydrothiopyran-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 69356794
N-[[(5S)-3-[4-[4-(6-cyano-3-azabicyclo[3.1.0]hexan-6-yl)-3-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68616391
N-[[3-[4-(4-formylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987724
N-[[(5S)-3-[4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 638803
N-[[3-[4-[4-(4,4-dimethoxypiperidin-1-yl)-3-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68943843

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-fluorophenyl]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-fluorophenyl]cyclopropyl]carbamate (CID 72778100) is tert-butyl N-[1-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-fluorophenyl]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-fluorophenyl]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-fluorophenyl]cyclopropyl]carbamate is CC(=O)NCC1CN(c2ccc(-c3ccc(C4(NC(=O)OC(C)(C)C)CC4)c(F)c3)cc2)C(=O)O1.
What is the InChIKey of tert-butyl N-[1-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-fluorophenyl]cyclopropyl]carbamate?
The InChIKey is LRTNWXAIOFSWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O5/c1-16(31)28-14-20-15-30(24(33)34-20)19-8-5-17(6-9-19)18-7-10-21(22(27)13-18)26(11-12-26)29-23(32)35-25(2,3)4/h5-10,13,20H,11-12,14-15H2,1-4H3,(H,28,31)(H,29,32).
What are the key properties of tert-butyl N-[1-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-fluorophenyl]cyclopropyl]carbamate?
tert-butyl N-[1-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-fluorophenyl]cyclopropyl]carbamate has a molecular weight of 483.54 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-fluorophenyl]cyclopropyl]carbamate is sourced from PubChem (CID 72778100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).