N-[[(5S)-3-[4-[(1-acetyl-2-oxoindol-3-ylidene)methyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C23H20FN3O5 — CID 70121147

IUPACN-[[(5S)-3-[4-[(1-acetyl-2-oxoindol-3-ylidene)methyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C=C3C(=O)N(C(C)=O)c4ccccc43)c(F)c2)C(=O)O1
InChIInChI=1S/C23H20FN3O5/c1-13(28)25-11-17-12-26(23(31)32-17)16-8-7-15(20(24)10-16)9-19-18-5-3-4-6-21(18)27(14(2)29)22(19)30/h3-10,17H,11-12H2,1-2H3,(H,25,28)/t17-/m0/s1
InChIKeyBDACSIRTWNFZCH-KRWDZBQOSA-N
MW437.43 g/mol
LogP2.72
Rot. Bonds4

About N-[[(5S)-3-[4-[(1-acetyl-2-oxoindol-3-ylidene)methyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[(1-acetyl-2-oxoindol-3-ylidene)methyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 70121147) has the molecular formula C23H20FN3O5 and a molecular weight of 437.43 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[(1-acetyl-2-oxoindol-3-ylidene)methyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[(1-acetyl-2-oxoindol-3-ylidene)methyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID70121147
Molecular FormulaC23H20FN3O5
Molecular Weight437.43 g/mol
Exact Mass437.14
IUPAC NameN-[[(5S)-3-[4-[(1-acetyl-2-oxoindol-3-ylidene)methyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C=C3C(=O)N(C(C)=O)c4ccccc43)c(F)c2)C(=O)O1
InChIInChI=1S/C23H20FN3O5/c1-13(28)25-11-17-12-26(23(31)32-17)16-8-7-15(20(24)10-16)9-19-18-5-3-4-6-21(18)27(14(2)29)22(19)30/h3-10,17H,11-12H2,1-2H3,(H,25,28)/t17-/m0/s1
InChIKeyBDACSIRTWNFZCH-KRWDZBQOSA-N
XLogP2.72
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[3-[3-fluoro-4-[(E)-(1-methyl-2-oxoindol-3-ylidene)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10294936
N-[[(5S)-3-[4-[(1-methyl-2-oxoindol-3-ylidene)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70119462
N-[[(5R)-3-[4-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10348392
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-[[(5S)-3-[3-fluoro-4-(2-oxo-3-phenylimidazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 174485027
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-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[(5S)-3-[4-[2-(benzenesulfonyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70146611
N-[[3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67226556
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
N-[[(5S)-3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11290525
N-[[3-[4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142224217

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[(1-acetyl-2-oxoindol-3-ylidene)methyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[(1-acetyl-2-oxoindol-3-ylidene)methyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 70121147) is N-[[(5S)-3-[4-[(1-acetyl-2-oxoindol-3-ylidene)methyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[(1-acetyl-2-oxoindol-3-ylidene)methyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[(1-acetyl-2-oxoindol-3-ylidene)methyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C=C3C(=O)N(C(C)=O)c4ccccc43)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[(1-acetyl-2-oxoindol-3-ylidene)methyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is BDACSIRTWNFZCH-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H20FN3O5/c1-13(28)25-11-17-12-26(23(31)32-17)16-8-7-15(20(24)10-16)9-19-18-5-3-4-6-21(18)27(14(2)29)22(19)30/h3-10,17H,11-12H2,1-2H3,(H,25,28)/t17-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[(1-acetyl-2-oxoindol-3-ylidene)methyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[(1-acetyl-2-oxoindol-3-ylidene)methyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 437.43 g/mol, XLogP of 2.72, 4 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-acetyl-2-oxoindol-3-ylidene)methyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 70121147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).