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

C18H22N4O3 — CID 72929537

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide
SMILESCc1cc(CN(C)C(=O)CN2C(=O)OC[C@@H]2c2ccccc2)n(C)n1
InChIInChI=1S/C18H22N4O3/c1-13-9-15(21(3)19-13)10-20(2)17(23)11-22-16(12-25-18(22)24)14-7-5-4-6-8-14/h4-9,16H,10-12H2,1-3H3/t16-/m1/s1
InChIKeyYKGLXLMREJSJKV-MRXNPFEDSA-N
MW342.40 g/mol
LogP1.88
Rot. Bonds5

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

N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide (PubChem CID 72929537) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide
PubChem CID72929537
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide
SMILESCc1cc(CN(C)C(=O)CN2C(=O)OC[C@@H]2c2ccccc2)n(C)n1
InChIInChI=1S/C18H22N4O3/c1-13-9-15(21(3)19-13)10-20(2)17(23)11-22-16(12-25-18(22)24)14-7-5-4-6-8-14/h4-9,16H,10-12H2,1-3H3/t16-/m1/s1
InChIKeyYKGLXLMREJSJKV-MRXNPFEDSA-N
XLogP1.88
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide (CID 72929537) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide is Cc1cc(CN(C)C(=O)CN2C(=O)OC[C@@H]2c2ccccc2)n(C)n1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide?
The InChIKey is YKGLXLMREJSJKV-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13-9-15(21(3)19-13)10-20(2)17(23)11-22-16(12-25-18(22)24)14-7-5-4-6-8-14/h4-9,16H,10-12H2,1-3H3/t16-/m1/s1.
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide is sourced from PubChem (CID 72929537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).