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

C16H16F2N6O3 — CID 10177664

IUPACN-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(2-methyltetrazol-5-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(/C=C(\F)c3nnn(C)n3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H16F2N6O3/c1-9(25)19-7-12-8-24(16(26)27-12)11-4-3-10(13(17)6-11)5-14(18)15-20-22-23(2)21-15/h3-6,12H,7-8H2,1-2H3,(H,19,25)/b14-5-/t12-/m0/s1
InChIKeyDMBBAGZXIJYWIF-GZSLWQHSSA-N
MW378.34 g/mol
LogP1.28
Rot. Bonds5

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

N-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(2-methyltetrazol-5-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10177664) has the molecular formula C16H16F2N6O3 and a molecular weight of 378.34 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(2-methyltetrazol-5-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(2-methyltetrazol-5-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10177664
Molecular FormulaC16H16F2N6O3
Molecular Weight378.34 g/mol
Exact Mass378.13
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(2-methyltetrazol-5-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(/C=C(\F)c3nnn(C)n3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H16F2N6O3/c1-9(25)19-7-12-8-24(16(26)27-12)11-4-3-10(13(17)6-11)5-14(18)15-20-22-23(2)21-15/h3-6,12H,7-8H2,1-2H3,(H,19,25)/b14-5-/t12-/m0/s1
InChIKeyDMBBAGZXIJYWIF-GZSLWQHSSA-N
XLogP1.28
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(2-methyltetrazol-5-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(2-methyltetrazol-5-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10177664) is N-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(2-methyltetrazol-5-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(2-methyltetrazol-5-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(2-methyltetrazol-5-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(/C=C(\F)c3nnn(C)n3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(2-methyltetrazol-5-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is DMBBAGZXIJYWIF-GZSLWQHSSA-N. The full InChI is InChI=1S/C16H16F2N6O3/c1-9(25)19-7-12-8-24(16(26)27-12)11-4-3-10(13(17)6-11)5-14(18)15-20-22-23(2)21-15/h3-6,12H,7-8H2,1-2H3,(H,19,25)/b14-5-/t12-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(2-methyltetrazol-5-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(2-methyltetrazol-5-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 378.34 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(2-methyltetrazol-5-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10177664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).