N-[[(5S)-3-[3,5-difluoro-4-[6-(4-formylimidazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C21H17F2N5O4 — CID 11676569

IUPACN-[[(5S)-3-[3,5-difluoro-4-[6-(4-formylimidazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2cc(F)c(-c3ccc(-n4cnc(C=O)c4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H17F2N5O4/c1-12(30)24-7-16-9-28(21(31)32-16)15-4-17(22)20(18(23)5-15)13-2-3-19(25-6-13)27-8-14(10-29)26-11-27/h2-6,8,10-11,16H,7,9H2,1H3,(H,24,30)/t16-/m0/s1
InChIKeyIXXVOBPEMFBVPU-INIZCTEOSA-N
MW441.39 g/mol
LogP2.49
Rot. Bonds6

About N-[[(5S)-3-[3,5-difluoro-4-[6-(4-formylimidazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3,5-difluoro-4-[6-(4-formylimidazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11676569) has the molecular formula C21H17F2N5O4 and a molecular weight of 441.39 g/mol. Its IUPAC name is N-[[(5S)-3-[3,5-difluoro-4-[6-(4-formylimidazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3,5-difluoro-4-[6-(4-formylimidazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11676569
Molecular FormulaC21H17F2N5O4
Molecular Weight441.39 g/mol
Exact Mass441.12
IUPAC NameN-[[(5S)-3-[3,5-difluoro-4-[6-(4-formylimidazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2cc(F)c(-c3ccc(-n4cnc(C=O)c4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H17F2N5O4/c1-12(30)24-7-16-9-28(21(31)32-16)15-4-17(22)20(18(23)5-15)13-2-3-19(25-6-13)27-8-14(10-29)26-11-27/h2-6,8,10-11,16H,7,9H2,1H3,(H,24,30)/t16-/m0/s1
InChIKeyIXXVOBPEMFBVPU-INIZCTEOSA-N
XLogP2.49
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[[(5S)-3-[3,5-difluoro-4-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11683070
N-[[(5S)-3-[3,5-difluoro-4-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 11510243
N-[[(5S)-3-[3,5-difluoro-4-[6-[5-(1,3-oxazol-4-yl)thiophen-2-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11698919
N-[[(5S)-3-[3-fluoro-4-[4-(2-pyridin-2-ylethenyl)imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57235679
N-[[3-[3-fluoro-4-(4-formyltriazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54175848
N-[[(5S)-3-[4-[6-(4-acetamidopiperidin-1-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67551168
N-[[(5S)-3-[4-[6-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 66555973
N-[[3-[4-(4-formylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987724
N-[[(5S)-3-[3-fluoro-4-(2-formyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58239209
N-[[(5S)-3-[4-[4-(1H-benzimidazol-2-yl)-3-fluorophenyl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11627117
N-[[(5S)-3-[4-[6-[(E)-(1,1-dioxo-1,4-thiazinan-4-yl)iminomethyl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 155532476
N-[[3-[4-[2-(1-aminocyclopropyl)pyrimidin-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 72957971

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3,5-difluoro-4-[6-(4-formylimidazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3,5-difluoro-4-[6-(4-formylimidazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11676569) is N-[[(5S)-3-[3,5-difluoro-4-[6-(4-formylimidazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3,5-difluoro-4-[6-(4-formylimidazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3,5-difluoro-4-[6-(4-formylimidazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2cc(F)c(-c3ccc(-n4cnc(C=O)c4)nc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3,5-difluoro-4-[6-(4-formylimidazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is IXXVOBPEMFBVPU-INIZCTEOSA-N. The full InChI is InChI=1S/C21H17F2N5O4/c1-12(30)24-7-16-9-28(21(31)32-16)15-4-17(22)20(18(23)5-15)13-2-3-19(25-6-13)27-8-14(10-29)26-11-27/h2-6,8,10-11,16H,7,9H2,1H3,(H,24,30)/t16-/m0/s1.
What are the key properties of N-[[(5S)-3-[3,5-difluoro-4-[6-(4-formylimidazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3,5-difluoro-4-[6-(4-formylimidazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 441.39 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3,5-difluoro-4-[6-(4-formylimidazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11676569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).