N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenylbenzamide

C21H20N4O3 — CID 84579634

IUPACN-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenylbenzamide
SMILESCn1nccc1N1CC(CNC(=O)c2ccc(-c3ccccc3)cc2)OC1=O
InChIInChI=1S/C21H20N4O3/c1-24-19(11-12-23-24)25-14-18(28-21(25)27)13-22-20(26)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,18H,13-14H2,1H3,(H,22,26)
InChIKeyJFRAKLNISYMHGF-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.84
Rot. Bonds5

About N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenylbenzamide

N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenylbenzamide (PubChem CID 84579634) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenylbenzamide
PubChem CID84579634
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenylbenzamide
SMILESCn1nccc1N1CC(CNC(=O)c2ccc(-c3ccccc3)cc2)OC1=O
InChIInChI=1S/C21H20N4O3/c1-24-19(11-12-23-24)25-14-18(28-21(25)27)13-22-20(26)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,18H,13-14H2,1H3,(H,22,26)
InChIKeyJFRAKLNISYMHGF-UHFFFAOYSA-N
XLogP2.84
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 84579789
N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzamide
CID 84582118
3,4-dichloro-N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 84580703
3-(4-ethylphenyl)-N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 112532685
N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]pyridine-4-carboxamide
CID 110710356
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylbenzamide
CID 16921024
4-fluoro-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 16920743
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-phenylbenzamide
CID 110315613
3,4-dimethoxy-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920432
N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzamide
CID 16920617
N-[[(5S)-2-oxo-3-(4-pyridin-3-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987829
3-fluoro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920440

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenylbenzamide?
The IUPAC name of N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenylbenzamide (CID 84579634) is N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenylbenzamide.
What is the SMILES notation for N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenylbenzamide?
The canonical SMILES for N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenylbenzamide is Cn1nccc1N1CC(CNC(=O)c2ccc(-c3ccccc3)cc2)OC1=O.
What is the InChIKey of N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenylbenzamide?
The InChIKey is JFRAKLNISYMHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-24-19(11-12-23-24)25-14-18(28-21(25)27)13-22-20(26)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,18H,13-14H2,1H3,(H,22,26).
What are the key properties of N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenylbenzamide?
N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenylbenzamide has a molecular weight of 376.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenylbenzamide is sourced from PubChem (CID 84579634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).