N-[[(5S)-3-[3-fluoro-4-[1-[2-(2H-triazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C24H25FN6O3 — CID 53354847

IUPACN-[[(5S)-3-[3-fluoro-4-[1-[2-(2H-triazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc4c(c3)CCN4CCc3cn[nH]n3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H25FN6O3/c1-15(32)26-13-20-14-31(24(33)34-20)19-3-4-21(22(25)11-19)16-2-5-23-17(10-16)6-8-30(23)9-7-18-12-27-29-28-18/h2-5,10-12,20H,6-9,13-14H2,1H3,(H,26,32)(H,27,28,29)/t20-/m0/s1
InChIKeyJWEASULPJQXKKE-FQEVSTJZSA-N
MW464.50 g/mol
LogP2.68
Rot. Bonds7

About N-[[(5S)-3-[3-fluoro-4-[1-[2-(2H-triazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[1-[2-(2H-triazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 53354847) has the molecular formula C24H25FN6O3 and a molecular weight of 464.50 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[1-[2-(2H-triazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[1-[2-(2H-triazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID53354847
Molecular FormulaC24H25FN6O3
Molecular Weight464.50 g/mol
Exact Mass464.20
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[1-[2-(2H-triazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc4c(c3)CCN4CCc3cn[nH]n3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H25FN6O3/c1-15(32)26-13-20-14-31(24(33)34-20)19-3-4-21(22(25)11-19)16-2-5-23-17(10-16)6-8-30(23)9-7-18-12-27-29-28-18/h2-5,10-12,20H,6-9,13-14H2,1H3,(H,26,32)(H,27,28,29)/t20-/m0/s1
InChIKeyJWEASULPJQXKKE-FQEVSTJZSA-N
XLogP2.68
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[1-[2-(2H-triazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[1-[2-(2H-triazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 53354847) is N-[[(5S)-3-[3-fluoro-4-[1-[2-(2H-triazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[1-[2-(2H-triazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[1-[2-(2H-triazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc4c(c3)CCN4CCc3cn[nH]n3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[1-[2-(2H-triazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is JWEASULPJQXKKE-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H25FN6O3/c1-15(32)26-13-20-14-31(24(33)34-20)19-3-4-21(22(25)11-19)16-2-5-23-17(10-16)6-8-30(23)9-7-18-12-27-29-28-18/h2-5,10-12,20H,6-9,13-14H2,1H3,(H,26,32)(H,27,28,29)/t20-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[1-[2-(2H-triazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[1-[2-(2H-triazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 464.50 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[1-[2-(2H-triazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 53354847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).