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

C14H13FN4O3S — CID 10404743

IUPACN-[[(5S)-3-[3-fluoro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3nncs3)c(F)c2)C(=O)O1
InChIInChI=1S/C14H13FN4O3S/c1-8(20)16-5-10-6-19(14(21)22-10)9-2-3-11(12(15)4-9)13-18-17-7-23-13/h2-4,7,10H,5-6H2,1H3,(H,16,20)/t10-/m0/s1
InChIKeyBSCPNDKHDRLNFH-JTQLQIEISA-N
MW336.35 g/mol
LogP1.81
Rot. Bonds4

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

N-[[(5S)-3-[3-fluoro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10404743) has the molecular formula C14H13FN4O3S and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10404743
Molecular FormulaC14H13FN4O3S
Molecular Weight336.35 g/mol
Exact Mass336.07
IUPAC NameN-[[(5S)-3-[3-fluoro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3nncs3)c(F)c2)C(=O)O1
InChIInChI=1S/C14H13FN4O3S/c1-8(20)16-5-10-6-19(14(21)22-10)9-2-3-11(12(15)4-9)13-18-17-7-23-13/h2-4,7,10H,5-6H2,1H3,(H,16,20)/t10-/m0/s1
InChIKeyBSCPNDKHDRLNFH-JTQLQIEISA-N
XLogP1.81
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.81
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-fluoro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10404743) is N-[[(5S)-3-[3-fluoro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3nncs3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is BSCPNDKHDRLNFH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13FN4O3S/c1-8(20)16-5-10-6-19(14(21)22-10)9-2-3-11(12(15)4-9)13-18-17-7-23-13/h2-4,7,10H,5-6H2,1H3,(H,16,20)/t10-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 336.35 g/mol, XLogP of 1.81, 4 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-(1,3,4-thiadiazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10404743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).