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

C20H17F2N5O3 — CID 11604001

IUPACN-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(-n4cncn4)c(F)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H17F2N5O3/c1-12(28)24-8-15-9-26(20(29)30-15)14-3-4-16(17(21)7-14)13-2-5-19(18(22)6-13)27-11-23-10-25-27/h2-7,10-11,15H,8-9H2,1H3,(H,24,28)/t15-/m0/s1
InChIKeyUPTKMHIDHHPWSW-HNNXBMFYSA-N
MW413.38 g/mol
LogP2.67
Rot. Bonds5

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

N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11604001) has the molecular formula C20H17F2N5O3 and a molecular weight of 413.38 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11604001
Molecular FormulaC20H17F2N5O3
Molecular Weight413.38 g/mol
Exact Mass413.13
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(-n4cncn4)c(F)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H17F2N5O3/c1-12(28)24-8-15-9-26(20(29)30-15)14-3-4-16(17(21)7-14)13-2-5-19(18(22)6-13)27-11-23-10-25-27/h2-7,10-11,15H,8-9H2,1H3,(H,24,28)/t15-/m0/s1
InChIKeyUPTKMHIDHHPWSW-HNNXBMFYSA-N
XLogP2.67
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11604001) is N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(-n4cncn4)c(F)c3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is UPTKMHIDHHPWSW-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H17F2N5O3/c1-12(28)24-8-15-9-26(20(29)30-15)14-3-4-16(17(21)7-14)13-2-5-19(18(22)6-13)27-11-23-10-25-27/h2-7,10-11,15H,8-9H2,1H3,(H,24,28)/t15-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 413.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11604001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).