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

C21H20N4O4 — CID 110632591

IUPAC2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide
SMILESCc1ccccc1-c1noc(CC(=O)NCC2CN(c3ccccc3)C(=O)O2)n1
InChIInChI=1S/C21H20N4O4/c1-14-7-5-6-10-17(14)20-23-19(29-24-20)11-18(26)22-12-16-13-25(21(27)28-16)15-8-3-2-4-9-15/h2-10,16H,11-13H2,1H3,(H,22,26)
InChIKeyALLCFOZKGKYCCA-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.73
Rot. Bonds6

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

2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide (PubChem CID 110632591) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide
PubChem CID110632591
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide
SMILESCc1ccccc1-c1noc(CC(=O)NCC2CN(c3ccccc3)C(=O)O2)n1
InChIInChI=1S/C21H20N4O4/c1-14-7-5-6-10-17(14)20-23-19(29-24-20)11-18(26)22-12-16-13-25(21(27)28-16)15-8-3-2-4-9-15/h2-10,16H,11-13H2,1H3,(H,22,26)
InChIKeyALLCFOZKGKYCCA-UHFFFAOYSA-N
XLogP2.73
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 16920412
2-(4-chlorophenyl)-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 16920496
3-methylsulfonyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]propanamide
CID 110632601
2-(4-morpholin-4-ylphenyl)-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 110632593
N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 16920543
N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]-3-phenylbutanamide
CID 110632574
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110424869
ethyl 2-oxo-2-[[(5R)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methylamino]acetate
CID 40923689
N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110632426
N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylacetamide
CID 110323634
but-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide
CID 90796180
[2-oxo-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3-oxazolidin-5-yl]methylthiourea
CID 86298317

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide?
The IUPAC name of 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide (CID 110632591) is 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide?
The canonical SMILES for 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide is Cc1ccccc1-c1noc(CC(=O)NCC2CN(c3ccccc3)C(=O)O2)n1.
What is the InChIKey of 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide?
The InChIKey is ALLCFOZKGKYCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-14-7-5-6-10-17(14)20-23-19(29-24-20)11-18(26)22-12-16-13-25(21(27)28-16)15-8-3-2-4-9-15/h2-10,16H,11-13H2,1H3,(H,22,26).
What are the key properties of 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide?
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide has a molecular weight of 392.42 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide is sourced from PubChem (CID 110632591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).