5-benzyl-1-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyrazole-4-carboxamide

C22H22N4O3 — CID 167833868

IUPAC5-benzyl-1-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCc2cccc(N3CCOC3=O)c2)c1Cc1ccccc1
InChIInChI=1S/C22H22N4O3/c1-25-20(13-16-6-3-2-4-7-16)19(15-24-25)21(27)23-14-17-8-5-9-18(12-17)26-10-11-29-22(26)28/h2-9,12,15H,10-11,13-14H2,1H3,(H,23,27)
InChIKeyTVWYREQWKGNGOJ-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.90
Rot. Bonds6

About 5-benzyl-1-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyrazole-4-carboxamide

5-benzyl-1-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 167833868) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 5-benzyl-1-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-benzyl-1-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID167833868
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name5-benzyl-1-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCc2cccc(N3CCOC3=O)c2)c1Cc1ccccc1
InChIInChI=1S/C22H22N4O3/c1-25-20(13-16-6-3-2-4-7-16)19(15-24-25)21(27)23-14-17-8-5-9-18(12-17)26-10-11-29-22(26)28/h2-9,12,15H,10-11,13-14H2,1H3,(H,23,27)
InChIKeyTVWYREQWKGNGOJ-UHFFFAOYSA-N
XLogP2.90
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-benzyl-1-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyrazole-4-carboxamide (CID 167833868) is 5-benzyl-1-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-benzyl-1-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-benzyl-1-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyrazole-4-carboxamide is Cn1ncc(C(=O)NCc2cccc(N3CCOC3=O)c2)c1Cc1ccccc1.
What is the InChIKey of 5-benzyl-1-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is TVWYREQWKGNGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-25-20(13-16-6-3-2-4-7-16)19(15-24-25)21(27)23-14-17-8-5-9-18(12-17)26-10-11-29-22(26)28/h2-9,12,15H,10-11,13-14H2,1H3,(H,23,27).
What are the key properties of 5-benzyl-1-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyrazole-4-carboxamide?
5-benzyl-1-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 167833868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).