tert-butyl N-[4-[4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutyl]-2-pyridinyl]carbamate

C24H29N3O5 — CID 22940646

IUPACtert-butyl N-[4-[4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutyl]-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(CCCC(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)ccn1
InChIInChI=1S/C24H29N3O5/c1-24(2,3)32-22(29)26-20-15-18(12-13-25-20)10-7-11-21(28)27-19(16-31-23(27)30)14-17-8-5-4-6-9-17/h4-6,8-9,12-13,15,19H,7,10-11,14,16H2,1-3H3,(H,25,26,29)/t19-/m0/s1
InChIKeyZMCHXISVICLJFR-IBGZPJMESA-N
MW439.51 g/mol
LogP4.34
Rot. Bonds7

About tert-butyl N-[4-[4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutyl]-2-pyridinyl]carbamate

tert-butyl N-[4-[4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutyl]-2-pyridinyl]carbamate (PubChem CID 22940646) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is tert-butyl N-[4-[4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutyl]-2-pyridinyl]carbamate
PubChem CID22940646
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Nametert-butyl N-[4-[4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutyl]-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(CCCC(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)ccn1
InChIInChI=1S/C24H29N3O5/c1-24(2,3)32-22(29)26-20-15-18(12-13-25-20)10-7-11-21(28)27-19(16-31-23(27)30)14-17-8-5-4-6-9-17/h4-6,8-9,12-13,15,19H,7,10-11,14,16H2,1-3H3,(H,25,26,29)/t19-/m0/s1
InChIKeyZMCHXISVICLJFR-IBGZPJMESA-N
XLogP4.34
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[4-[4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutyl]-2-pyridinyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 53486918
(4S)-4-benzyl-3-(4-phenylbutanoyl)-1,3-oxazolidin-2-one
CID 10592004
1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348
(4R)-4-benzyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one
CID 70251380
tert-butyl N-[3-[2-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]-3-(3-bromopropyl)phenyl]propyl]carbamate
CID 102599818
(4R)-4-benzyl-3-octanoyl-1,3-oxazolidin-2-one
CID 10286343
(4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one
CID 71349223
tert-butyl N-[4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]phenyl]-N-methylcarbamate
CID 53486929
tert-butyl N-[(4R)-4-benzyl-5-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-oxopentyl]carbamate
CID 166831660
tert-butyl N-[(3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxobutyl]carbamate
CID 15675051
4-benzyl-3-[4-(4-methoxynaphthalen-1-yl)butanoyl]-1,3-oxazolidin-2-one
CID 134346351
methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propanoate
CID 22063539

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutyl]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[4-[4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutyl]-2-pyridinyl]carbamate (CID 22940646) is tert-butyl N-[4-[4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutyl]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutyl]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutyl]-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cc(CCCC(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)ccn1.
What is the InChIKey of tert-butyl N-[4-[4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutyl]-2-pyridinyl]carbamate?
The InChIKey is ZMCHXISVICLJFR-IBGZPJMESA-N. The full InChI is InChI=1S/C24H29N3O5/c1-24(2,3)32-22(29)26-20-15-18(12-13-25-20)10-7-11-21(28)27-19(16-31-23(27)30)14-17-8-5-4-6-9-17/h4-6,8-9,12-13,15,19H,7,10-11,14,16H2,1-3H3,(H,25,26,29)/t19-/m0/s1.
What are the key properties of tert-butyl N-[4-[4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutyl]-2-pyridinyl]carbamate?
tert-butyl N-[4-[4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutyl]-2-pyridinyl]carbamate has a molecular weight of 439.51 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 22940646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).