tert-butyl N-[(1R,3R)-3-[3-[3-[[2-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]phenyl]phenoxy]cyclopentyl]carbamate

C35H41N5O7 — CID 140815255

IUPACtert-butyl N-[(1R,3R)-3-[3-[3-[[2-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]phenyl]phenoxy]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@@H](Oc2cccc(-c3cccc(CNCC[C@H]4CN(c5ccc6c(n5)NC(=O)CO6)C(=O)O4)c3)c2)C1
InChIInChI=1S/C35H41N5O7/c1-35(2,3)47-33(42)37-25-10-11-27(18-25)45-26-9-5-8-24(17-26)23-7-4-6-22(16-23)19-36-15-14-28-20-40(34(43)46-28)30-13-12-29-32(38-30)39-31(41)21-44-29/h4-9,12-13,16-17,25,27-28,36H,10-11,14-15,18-21H2,1-3H3,(H,37,42)(H,38,39,41)/t25-,27-,28+/m1/s1
InChIKeyMMFNENJFXSSIDV-KZQOYIJHSA-N
MW643.74 g/mol
LogP5.41
Rot. Bonds10

About tert-butyl N-[(1R,3R)-3-[3-[3-[[2-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]phenyl]phenoxy]cyclopentyl]carbamate

tert-butyl N-[(1R,3R)-3-[3-[3-[[2-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]phenyl]phenoxy]cyclopentyl]carbamate (PubChem CID 140815255) has the molecular formula C35H41N5O7 and a molecular weight of 643.74 g/mol. Its IUPAC name is tert-butyl N-[(1R,3R)-3-[3-[3-[[2-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]phenyl]phenoxy]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,3R)-3-[3-[3-[[2-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]phenyl]phenoxy]cyclopentyl]carbamate
PubChem CID140815255
Molecular FormulaC35H41N5O7
Molecular Weight643.74 g/mol
Exact Mass643.30
IUPAC Nametert-butyl N-[(1R,3R)-3-[3-[3-[[2-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]phenyl]phenoxy]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@@H](Oc2cccc(-c3cccc(CNCC[C@H]4CN(c5ccc6c(n5)NC(=O)CO6)C(=O)O4)c3)c2)C1
InChIInChI=1S/C35H41N5O7/c1-35(2,3)47-33(42)37-25-10-11-27(18-25)45-26-9-5-8-24(17-26)23-7-4-6-22(16-23)19-36-15-14-28-20-40(34(43)46-28)30-13-12-29-32(38-30)39-31(41)21-44-29/h4-9,12-13,16-17,25,27-28,36H,10-11,14-15,18-21H2,1-3H3,(H,37,42)(H,38,39,41)/t25-,27-,28+/m1/s1
InChIKeyMMFNENJFXSSIDV-KZQOYIJHSA-N
XLogP5.41
TPSA140.35 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.74
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[(1R,3R)-3-[3-[3-[[2-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]phenyl]phenoxy]cyclopentyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

6-[(5S)-5-[2-[[3-[6-[[(3S,4R)-3,4-dihydroxycyclopentyl]methoxy]-2-pyridinyl]phenyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 118938923
tert-butyl N-[(1S,2S)-4-chloro-2-[[2-[(5R)-2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 156862158
2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-6-pyrrolidin-3-yloxy-2,3-dihydro-1H-indene-4-carbonitrile
CID 156862087
2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]-N-methylacetamide
CID 156862650
2-[2-[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]ethyl]isoindole-1,3-dione
CID 156862197
6-[5-[2-[(4-chloro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 156862265
6-[5-[2-[[5-hydroxy-4-[4-(oxetan-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 155190882
3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propanal
CID 87367134
2-[3-[3-[[2-[2-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-5,6-dioxa-2-azabicyclo[2.1.1]hexan-4-yl]ethylamino]methyl]phenyl]phenoxy]acetonitrile
CID 129201963
6-[5-[3-[(4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 156861925
6-[5-[2-[[3-(azetidin-3-ylmethoxy)-1,4-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
CID 156861905
6-[5-[2-[[3-[(1-aminocyclopropyl)methoxy]-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 156862770

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,3R)-3-[3-[3-[[2-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]phenyl]phenoxy]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,3R)-3-[3-[3-[[2-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]phenyl]phenoxy]cyclopentyl]carbamate (CID 140815255) is tert-butyl N-[(1R,3R)-3-[3-[3-[[2-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]phenyl]phenoxy]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,3R)-3-[3-[3-[[2-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]phenyl]phenoxy]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,3R)-3-[3-[3-[[2-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]phenyl]phenoxy]cyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](Oc2cccc(-c3cccc(CNCC[C@H]4CN(c5ccc6c(n5)NC(=O)CO6)C(=O)O4)c3)c2)C1.
What is the InChIKey of tert-butyl N-[(1R,3R)-3-[3-[3-[[2-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]phenyl]phenoxy]cyclopentyl]carbamate?
The InChIKey is MMFNENJFXSSIDV-KZQOYIJHSA-N. The full InChI is InChI=1S/C35H41N5O7/c1-35(2,3)47-33(42)37-25-10-11-27(18-25)45-26-9-5-8-24(17-26)23-7-4-6-22(16-23)19-36-15-14-28-20-40(34(43)46-28)30-13-12-29-32(38-30)39-31(41)21-44-29/h4-9,12-13,16-17,25,27-28,36H,10-11,14-15,18-21H2,1-3H3,(H,37,42)(H,38,39,41)/t25-,27-,28+/m1/s1.
What are the key properties of tert-butyl N-[(1R,3R)-3-[3-[3-[[2-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]phenyl]phenoxy]cyclopentyl]carbamate?
tert-butyl N-[(1R,3R)-3-[3-[3-[[2-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]phenyl]phenoxy]cyclopentyl]carbamate has a molecular weight of 643.74 g/mol, XLogP of 5.41, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,3R)-3-[3-[3-[[2-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]phenyl]phenoxy]cyclopentyl]carbamate is sourced from PubChem (CID 140815255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).