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

C22H20FN3O5 — CID 70119970

IUPACN-[[(5S)-3-[3-fluoro-4-[(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCOc1ccc2c(c1)C(=Cc1ccc(N3C[C@H](CNC(C)=O)OC3=O)cc1F)C(=O)N2
InChIInChI=1S/C22H20FN3O5/c1-12(27)24-10-16-11-26(22(29)31-16)14-4-3-13(19(23)8-14)7-18-17-9-15(30-2)5-6-20(17)25-21(18)28/h3-9,16H,10-11H2,1-2H3,(H,24,27)(H,25,28)/t16-/m0/s1
InChIKeyFATXVQDTKANXKK-INIZCTEOSA-N
MW425.42 g/mol
LogP2.79
Rot. Bonds5

About 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

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 (PubChem CID 70119970) has the molecular formula C22H20FN3O5 and a molecular weight of 425.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID70119970
Molecular FormulaC22H20FN3O5
Molecular Weight425.42 g/mol
Exact Mass425.14
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCOc1ccc2c(c1)C(=Cc1ccc(N3C[C@H](CNC(C)=O)OC3=O)cc1F)C(=O)N2
InChIInChI=1S/C22H20FN3O5/c1-12(27)24-10-16-11-26(22(29)31-16)14-4-3-13(19(23)8-14)7-18-17-9-15(30-2)5-6-20(17)25-21(18)28/h3-9,16H,10-11H2,1-2H3,(H,24,27)(H,25,28)/t16-/m0/s1
InChIKeyFATXVQDTKANXKK-INIZCTEOSA-N
XLogP2.79
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
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-[[(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-[[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-acetyl-2-oxoindol-3-ylidene)methyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70121147
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-[(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-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
N-[[(5S)-3-[3-fluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15381194
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[3-[3-fluoro-4-[3-(methoxymethylidene)azetidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70197464
N-[[(5S)-3-[4-(azetidin-3-ylamino)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67273734
3-[[(5S)-3-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-3-oxopropanoic acid
CID 10370215

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2c(c1)C(=Cc1ccc(N3C[C@H](CNC(C)=O)OC3=O)cc1F)C(=O)N2.
What is the InChIKey of 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?
The InChIKey is FATXVQDTKANXKK-INIZCTEOSA-N. The full InChI is InChI=1S/C22H20FN3O5/c1-12(27)24-10-16-11-26(22(29)31-16)14-4-3-13(19(23)8-14)7-18-17-9-15(30-2)5-6-20(17)25-21(18)28/h3-9,16H,10-11H2,1-2H3,(H,24,27)(H,25,28)/t16-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 425.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 70119970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).