tert-butyl N-[1-[5-[4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate

C26H28N4O6 — CID 11294811

IUPACtert-butyl N-[1-[5-[4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(-c3ccc(N4C[C@H](COc5ccon5)OC4=O)cc3)cn2)CC1
InChIInChI=1S/C26H28N4O6/c1-25(2,3)36-23(31)28-26(11-12-26)21-9-6-18(14-27-21)17-4-7-19(8-5-17)30-15-20(35-24(30)32)16-33-22-10-13-34-29-22/h4-10,13-14,20H,11-12,15-16H2,1-3H3,(H,28,31)/t20-/m1/s1
InChIKeyLHEQKQQFPGZNHR-HXUWFJFHSA-N
MW492.53 g/mol
LogP4.65
Rot. Bonds7

About tert-butyl N-[1-[5-[4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate

tert-butyl N-[1-[5-[4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate (PubChem CID 11294811) has the molecular formula C26H28N4O6 and a molecular weight of 492.53 g/mol. Its IUPAC name is tert-butyl N-[1-[5-[4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[5-[4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate
PubChem CID11294811
Molecular FormulaC26H28N4O6
Molecular Weight492.53 g/mol
Exact Mass492.20
IUPAC Nametert-butyl N-[1-[5-[4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(-c3ccc(N4C[C@H](COc5ccon5)OC4=O)cc3)cn2)CC1
InChIInChI=1S/C26H28N4O6/c1-25(2,3)36-23(31)28-26(11-12-26)21-9-6-18(14-27-21)17-4-7-19(8-5-17)30-15-20(35-24(30)32)16-33-22-10-13-34-29-22/h4-10,13-14,20H,11-12,15-16H2,1-3H3,(H,28,31)/t20-/m1/s1
InChIKeyLHEQKQQFPGZNHR-HXUWFJFHSA-N
XLogP4.65
TPSA116.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[1-[5-[4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 9954739
(1R,5S)-6-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 11431129
(5R)-3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 12095883
(5R)-3-[3-fluoro-4-[1-(2-hydroxy-3-pyrrol-1-yl-propanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(isoxazol-3-yloxymethyl)oxazolidin-2-one
CID 497383
(1S,5R)-6-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile
CID 11167123
tert-butyl (1R,5S)-6-cyano-6-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 11192246
tert-butyl N-[1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate
CID 11386671
(5R)-3-[4-[6-(1-aminocyclopropyl)-3-pyridinyl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 11395762
1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropane-1-carbonitrile
CID 11407495
N-{3-[3-Fluoro-4-(6-{[(isoxazol-4-ylmethyl)-amino]-methyl}-pyridin-3-yl)-phenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide
CID 22274015
N-[[(5S)-3-[3-fluoro-4-[6-[(1,2-oxazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404023
(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-[6-[(2H-triazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
CID 25185000

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-[4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-[5-[4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate (CID 11294811) is tert-butyl N-[1-[5-[4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[5-[4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[5-[4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1(c2ccc(-c3ccc(N4C[C@H](COc5ccon5)OC4=O)cc3)cn2)CC1.
What is the InChIKey of tert-butyl N-[1-[5-[4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate?
The InChIKey is LHEQKQQFPGZNHR-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H28N4O6/c1-25(2,3)36-23(31)28-26(11-12-26)21-9-6-18(14-27-21)17-4-7-19(8-5-17)30-15-20(35-24(30)32)16-33-22-10-13-34-29-22/h4-10,13-14,20H,11-12,15-16H2,1-3H3,(H,28,31)/t20-/m1/s1.
What are the key properties of tert-butyl N-[1-[5-[4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate?
tert-butyl N-[1-[5-[4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate has a molecular weight of 492.53 g/mol, XLogP of 4.65, 7 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-[4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate is sourced from PubChem (CID 11294811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).