N-[[(5S)-3-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C22H22N2O5 — CID 16655158

IUPACN-[[(5S)-3-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCOc1ccc(C(=O)/C=C/c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2)cc1
InChIInChI=1S/C22H22N2O5/c1-15(25)23-13-20-14-24(22(27)29-20)18-8-3-16(4-9-18)5-12-21(26)17-6-10-19(28-2)11-7-17/h3-12,20H,13-14H2,1-2H3,(H,23,25)/b12-5+/t20-/m0/s1
InChIKeyZFVTVMFDUHPMFP-DVZTZUIZSA-N
MW394.43 g/mol
LogP3.05
Rot. Bonds7

About N-[[(5S)-3-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 16655158) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID16655158
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC NameN-[[(5S)-3-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCOc1ccc(C(=O)/C=C/c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2)cc1
InChIInChI=1S/C22H22N2O5/c1-15(25)23-13-20-14-24(22(27)29-20)18-8-3-16(4-9-18)5-12-21(26)17-6-10-19(28-2)11-7-17/h3-12,20H,13-14H2,1-2H3,(H,23,25)/b12-5+/t20-/m0/s1
InChIKeyZFVTVMFDUHPMFP-DVZTZUIZSA-N
XLogP3.05
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 2265927
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4-sec-butoxy-N-[4-(4-morpholinylmethyl)phenyl]benzamide
CID 2940925
N-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 16655158) is N-[[(5S)-3-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is COc1ccc(C(=O)/C=C/c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2)cc1.
What is the InChIKey of N-[[(5S)-3-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is ZFVTVMFDUHPMFP-DVZTZUIZSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-15(25)23-13-20-14-24(22(27)29-20)18-8-3-16(4-9-18)5-12-21(26)17-6-10-19(28-2)11-7-17/h3-12,20H,13-14H2,1-2H3,(H,23,25)/b12-5+/t20-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 394.43 g/mol, XLogP of 3.05, 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-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 16655158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).