N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide

C18H22N4O3 — CID 72882171

IUPACN-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide
SMILESCN(CCc1cnn(C)c1)C(=O)CN1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C18H22N4O3/c1-20(9-8-14-10-19-21(2)11-14)17(23)12-22-16(13-25-18(22)24)15-6-4-3-5-7-15/h3-7,10-11,16H,8-9,12-13H2,1-2H3/t16-/m1/s1
InChIKeyWBWVNEOEQXWQOX-MRXNPFEDSA-N
MW342.40 g/mol
LogP1.61
Rot. Bonds6

About N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide

N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide (PubChem CID 72882171) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide
PubChem CID72882171
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide
SMILESCN(CCc1cnn(C)c1)C(=O)CN1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C18H22N4O3/c1-20(9-8-14-10-19-21(2)11-14)17(23)12-22-16(13-25-18(22)24)15-6-4-3-5-7-15/h3-7,10-11,16H,8-9,12-13H2,1-2H3/t16-/m1/s1
InChIKeyWBWVNEOEQXWQOX-MRXNPFEDSA-N
XLogP1.61
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide?
The IUPAC name of N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide (CID 72882171) is N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide.
What is the SMILES notation for N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide?
The canonical SMILES for N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide is CN(CCc1cnn(C)c1)C(=O)CN1C(=O)OC[C@@H]1c1ccccc1.
What is the InChIKey of N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide?
The InChIKey is WBWVNEOEQXWQOX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-20(9-8-14-10-19-21(2)11-14)17(23)12-22-16(13-25-18(22)24)15-6-4-3-5-7-15/h3-7,10-11,16H,8-9,12-13H2,1-2H3/t16-/m1/s1.
What are the key properties of N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide?
N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide is sourced from PubChem (CID 72882171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).