N-[[(5S)-3-[4-[(E)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C22H21N3O4 — CID 70165278

IUPACN-[[(5S)-3-[4-[(E)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(/C=C3/C(=O)Nc4cc(C)ccc43)cc2)C(=O)O1
InChIInChI=1S/C22H21N3O4/c1-13-3-8-18-19(21(27)24-20(18)9-13)10-15-4-6-16(7-5-15)25-12-17(29-22(25)28)11-23-14(2)26/h3-10,17H,11-12H2,1-2H3,(H,23,26)(H,24,27)/b19-10+/t17-/m0/s1
InChIKeyICFLAVVJSIQFJZ-AEUYPJEVSA-N
MW391.43 g/mol
LogP2.95
Rot. Bonds4

About N-[[(5S)-3-[4-[(E)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[(E)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 70165278) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[(E)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[(E)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID70165278
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN-[[(5S)-3-[4-[(E)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(/C=C3/C(=O)Nc4cc(C)ccc43)cc2)C(=O)O1
InChIInChI=1S/C22H21N3O4/c1-13-3-8-18-19(21(27)24-20(18)9-13)10-15-4-6-16(7-5-15)25-12-17(29-22(25)28)11-23-14(2)26/h3-10,17H,11-12H2,1-2H3,(H,23,26)(H,24,27)/b19-10+/t17-/m0/s1
InChIKeyICFLAVVJSIQFJZ-AEUYPJEVSA-N
XLogP2.95
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-oxo-3-[4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10156422
N-[[(5S)-3-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 173257508
N-[[(5S)-3-[4-[(1-methyl-2-oxoindol-3-ylidene)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70119462
N-[[3-[4-(4-formylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987724
N-[[(5S)-3-[3-fluoro-4-[(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70119970
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
N-[[2-oxo-3-[4-(3-oxoprop-1-enyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54536616
N-[[(5S)-3-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 173257560
N-[[(5R)-3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54472628
N-[[2-oxo-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21462605
N-[[(5S)-2-oxo-3-[(6Z)-5-oxo-6-(pyridin-4-ylmethylidene)-8,9-dihydro-7H-benzo[7]annulen-2-yl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10319093
N-[[(5S)-3-[4-[4-[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11330151

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[(E)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[(E)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 70165278) is N-[[(5S)-3-[4-[(E)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[(E)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[(E)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(/C=C3/C(=O)Nc4cc(C)ccc43)cc2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[(E)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is ICFLAVVJSIQFJZ-AEUYPJEVSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-13-3-8-18-19(21(27)24-20(18)9-13)10-15-4-6-16(7-5-15)25-12-17(29-22(25)28)11-23-14(2)26/h3-10,17H,11-12H2,1-2H3,(H,23,26)(H,24,27)/b19-10+/t17-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[(E)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[(E)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 391.43 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[(E)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 70165278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).