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

C21H19N3O4 — CID 10156422

IUPACN-[[2-oxo-3-[4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(/C=C3/C(=O)Nc4ccccc43)cc2)C(=O)O1
InChIInChI=1S/C21H19N3O4/c1-13(25)22-11-16-12-24(21(27)28-16)15-8-6-14(7-9-15)10-18-17-4-2-3-5-19(17)23-20(18)26/h2-10,16H,11-12H2,1H3,(H,22,25)(H,23,26)/b18-10+
InChIKeyDALMZIWCKFKZSR-VCHYOVAHSA-N
MW377.40 g/mol
LogP2.64
Rot. Bonds4

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

N-[[2-oxo-3-[4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10156422) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[[2-oxo-3-[4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-oxo-3-[4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10156422
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN-[[2-oxo-3-[4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(/C=C3/C(=O)Nc4ccccc43)cc2)C(=O)O1
InChIInChI=1S/C21H19N3O4/c1-13(25)22-11-16-12-24(21(27)28-16)15-8-6-14(7-9-15)10-18-17-4-2-3-5-19(17)23-20(18)26/h2-10,16H,11-12H2,1H3,(H,22,25)(H,23,26)/b18-10+
InChIKeyDALMZIWCKFKZSR-VCHYOVAHSA-N
XLogP2.64
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.64
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-[[(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
N-[[(5S)-3-[4-[(1-methyl-2-oxoindol-3-ylidene)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70119462
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-[[3-[4-(4-formylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987724
but-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide
CID 90796180
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-[[2-oxo-3-[4-(3-oxoprop-1-enyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54536616
N-[[(5R)-3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54472628
N-[(3-naphthalen-2-yl-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide
CID 19012489
N-[[2-oxo-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21462605
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-(1-hydroxyethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 151762391

Frequently Asked Questions

What is the IUPAC name of N-[[2-oxo-3-[4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[2-oxo-3-[4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10156422) is N-[[2-oxo-3-[4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-oxo-3-[4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[2-oxo-3-[4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(/C=C3/C(=O)Nc4ccccc43)cc2)C(=O)O1.
What is the InChIKey of N-[[2-oxo-3-[4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is DALMZIWCKFKZSR-VCHYOVAHSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-13(25)22-11-16-12-24(21(27)28-16)15-8-6-14(7-9-15)10-18-17-4-2-3-5-19(17)23-20(18)26/h2-10,16H,11-12H2,1H3,(H,22,25)(H,23,26)/b18-10+.
What are the key properties of N-[[2-oxo-3-[4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[2-oxo-3-[4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 377.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-oxo-3-[4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10156422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).