N-[[(5S)-3-[4-[1-(2-naphthalen-2-yloxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C29H29N3O5 — CID 57154813

IUPACN-[[(5S)-3-[4-[1-(2-naphthalen-2-yloxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C3=CCN(C(=O)COc4ccc5ccccc5c4)CC3)cc2)C(=O)O1
InChIInChI=1S/C29H29N3O5/c1-20(33)30-17-27-18-32(29(35)37-27)25-9-6-22(7-10-25)23-12-14-31(15-13-23)28(34)19-36-26-11-8-21-4-2-3-5-24(21)16-26/h2-12,16,27H,13-15,17-19H2,1H3,(H,30,33)/t27-/m0/s1
InChIKeyVPUKFEYBBCHULL-MHZLTWQESA-N
MW499.57 g/mol
LogP4.00
Rot. Bonds7

About N-[[(5S)-3-[4-[1-(2-naphthalen-2-yloxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[1-(2-naphthalen-2-yloxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 57154813) has the molecular formula C29H29N3O5 and a molecular weight of 499.57 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[1-(2-naphthalen-2-yloxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[1-(2-naphthalen-2-yloxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID57154813
Molecular FormulaC29H29N3O5
Molecular Weight499.57 g/mol
Exact Mass499.21
IUPAC NameN-[[(5S)-3-[4-[1-(2-naphthalen-2-yloxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C3=CCN(C(=O)COc4ccc5ccccc5c4)CC3)cc2)C(=O)O1
InChIInChI=1S/C29H29N3O5/c1-20(33)30-17-27-18-32(29(35)37-27)25-9-6-22(7-10-25)23-12-14-31(15-13-23)28(34)19-36-26-11-8-21-4-2-3-5-24(21)16-26/h2-12,16,27H,13-15,17-19H2,1H3,(H,30,33)/t27-/m0/s1
InChIKeyVPUKFEYBBCHULL-MHZLTWQESA-N
XLogP4.00
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(5S)-3-[4-[1-(2-naphthalen-2-yloxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

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Related Compounds

[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] butanoate
CID 57157683
methyl 4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 18005332
[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] decanoate
CID 56991299
N-[(3-naphthalen-2-yl-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide
CID 19012489
N-[[(5S)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18684839
methyl 2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetate
CID 70117574
2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 16920637
N-[[3-[4-(4-formylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987724
N-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-methylphenoxy)acetamide
CID 16921393
N-[[(5R)-3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54472628
N-[[3-[4-(2,5-dihydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987839
but-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide
CID 90796180

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[1-(2-naphthalen-2-yloxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[1-(2-naphthalen-2-yloxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 57154813) is N-[[(5S)-3-[4-[1-(2-naphthalen-2-yloxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[1-(2-naphthalen-2-yloxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[1-(2-naphthalen-2-yloxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C3=CCN(C(=O)COc4ccc5ccccc5c4)CC3)cc2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[1-(2-naphthalen-2-yloxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is VPUKFEYBBCHULL-MHZLTWQESA-N. The full InChI is InChI=1S/C29H29N3O5/c1-20(33)30-17-27-18-32(29(35)37-27)25-9-6-22(7-10-25)23-12-14-31(15-13-23)28(34)19-36-26-11-8-21-4-2-3-5-24(21)16-26/h2-12,16,27H,13-15,17-19H2,1H3,(H,30,33)/t27-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[1-(2-naphthalen-2-yloxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[1-(2-naphthalen-2-yloxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 499.57 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[1-(2-naphthalen-2-yloxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 57154813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).