N-[[3-[3,5-dichloro-4-(1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C14H12Cl2N4O4 — CID 86287990

IUPACN-[[3-[3,5-dichloro-4-(1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2cc(Cl)c(-c3ncno3)c(Cl)c2)C(=O)O1
InChIInChI=1S/C14H12Cl2N4O4/c1-7(21)17-4-9-5-20(14(22)23-9)8-2-10(15)12(11(16)3-8)13-18-6-19-24-13/h2-3,6,9H,4-5H2,1H3,(H,17,21)
InChIKeyQFEMKJAJUZQHEI-UHFFFAOYSA-N
MW371.18 g/mol
LogP2.50
Rot. Bonds4

About N-[[3-[3,5-dichloro-4-(1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[3,5-dichloro-4-(1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 86287990) has the molecular formula C14H12Cl2N4O4 and a molecular weight of 371.18 g/mol. Its IUPAC name is N-[[3-[3,5-dichloro-4-(1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[3,5-dichloro-4-(1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID86287990
Molecular FormulaC14H12Cl2N4O4
Molecular Weight371.18 g/mol
Exact Mass370.02
IUPAC NameN-[[3-[3,5-dichloro-4-(1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2cc(Cl)c(-c3ncno3)c(Cl)c2)C(=O)O1
InChIInChI=1S/C14H12Cl2N4O4/c1-7(21)17-4-9-5-20(14(22)23-9)8-2-10(15)12(11(16)3-8)13-18-6-19-24-13/h2-3,6,9H,4-5H2,1H3,(H,17,21)
InChIKeyQFEMKJAJUZQHEI-UHFFFAOYSA-N
XLogP2.50
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.18
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(3-chloro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 19418145
[3-[3,5-dichloro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylthiourea
CID 86297899
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
N-[[3-[3,5-difluoro-4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86297896
N-[[3-(3,5-dimethyl-4-prop-2-ynoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18713381
N-[[(5R)-3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54472628
N-[(3-naphthalen-2-yl-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide
CID 19012489
N-[[(5S)-3-(4-amino-3-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54229929
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
N-[[(5S)-3-[4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 638803
N-[[(5S)-3-(3-hydroxy-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57061555
N-[[(5S)-3-[3,5-dimethyl-4-(3-methylazetidin-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54057134

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3,5-dichloro-4-(1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[3,5-dichloro-4-(1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 86287990) is N-[[3-[3,5-dichloro-4-(1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[3,5-dichloro-4-(1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[3,5-dichloro-4-(1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2cc(Cl)c(-c3ncno3)c(Cl)c2)C(=O)O1.
What is the InChIKey of N-[[3-[3,5-dichloro-4-(1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is QFEMKJAJUZQHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O4/c1-7(21)17-4-9-5-20(14(22)23-9)8-2-10(15)12(11(16)3-8)13-18-6-19-24-13/h2-3,6,9H,4-5H2,1H3,(H,17,21).
What are the key properties of N-[[3-[3,5-dichloro-4-(1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[3,5-dichloro-4-(1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 371.18 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3,5-dichloro-4-(1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 86287990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).