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

C20H16F3N5O3 — CID 11524806

IUPACN-[[(5S)-3-[3,5-difluoro-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(c2cc(F)c(-c3ccc(-n4cncn4)c(F)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H16F3N5O3/c1-11(29)25-7-14-8-27(20(30)31-14)13-5-16(22)19(17(23)6-13)12-2-3-18(15(21)4-12)28-10-24-9-26-28/h2-6,9-10,14H,7-8H2,1H3,(H,25,29)/t14-/m0/s1
InChIKeyFCBFEZXALZBZCS-AWEZNQCLSA-N
MW431.37 g/mol
LogP2.81
Rot. Bonds5

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

N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11524806) has the molecular formula C20H16F3N5O3 and a molecular weight of 431.37 g/mol. Its IUPAC name is N-[[(5S)-3-[3,5-difluoro-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-[3,5-difluoro-4-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11524806
Molecular FormulaC20H16F3N5O3
Molecular Weight431.37 g/mol
Exact Mass431.12
IUPAC NameN-[[(5S)-3-[3,5-difluoro-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(c2cc(F)c(-c3ccc(-n4cncn4)c(F)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H16F3N5O3/c1-11(29)25-7-14-8-27(20(30)31-14)13-5-16(22)19(17(23)6-13)12-2-3-18(15(21)4-12)28-10-24-9-26-28/h2-6,9-10,14H,7-8H2,1H3,(H,25,29)/t14-/m0/s1
InChIKeyFCBFEZXALZBZCS-AWEZNQCLSA-N
XLogP2.81
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3,5-difluoro-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-[3,5-difluoro-4-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11524806) is N-[[(5S)-3-[3,5-difluoro-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-[3,5-difluoro-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-[3,5-difluoro-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(c2cc(F)c(-c3ccc(-n4cncn4)c(F)c3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is FCBFEZXALZBZCS-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H16F3N5O3/c1-11(29)25-7-14-8-27(20(30)31-14)13-5-16(22)19(17(23)6-13)12-2-3-18(15(21)4-12)28-10-24-9-26-28/h2-6,9-10,14H,7-8H2,1H3,(H,25,29)/t14-/m0/s1.
What are the key properties of N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3,5-difluoro-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 431.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3,5-difluoro-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 11524806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).