N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide

C16H22N4O3 — CID 133117616

IUPACN-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide
SMILESCN(CC1CC(c2ccccc2)NN1)C(=O)CN1CCOC1=O
InChIInChI=1S/C16H22N4O3/c1-19(15(21)11-20-7-8-23-16(20)22)10-13-9-14(18-17-13)12-5-3-2-4-6-12/h2-6,13-14,17-18H,7-11H2,1H3
InChIKeyKTSUBVHDJLRSAB-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.50
Rot. Bonds5

About N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide

N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide (PubChem CID 133117616) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide
PubChem CID133117616
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide
SMILESCN(CC1CC(c2ccccc2)NN1)C(=O)CN1CCOC1=O
InChIInChI=1S/C16H22N4O3/c1-19(15(21)11-20-7-8-23-16(20)22)10-13-9-14(18-17-13)12-5-3-2-4-6-12/h2-6,13-14,17-18H,7-11H2,1H3
InChIKeyKTSUBVHDJLRSAB-UHFFFAOYSA-N
XLogP0.50
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide
CID 133266471
2-(2-ethylimidazol-1-yl)-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide
CID 133265861
2-(3,5-difluorophenyl)-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide
CID 133129551
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 90635834
N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide
CID 133264603
1-cycloheptyl-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]triazole-4-carboxamide
CID 74812515
N-[[(3S)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 25305282
N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 134081034
3-(2-oxo-5-phenylpentyl)-1,3-oxazolidin-2-one
CID 158303526
N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 78086382
N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-thiophen-2-ylpyrimidine-5-carboxamide
CID 133267878
2-(2-oxo-1,3-oxazolidin-3-yl)-N,N-dipropylacetamide
CID 110686560

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide (CID 133117616) is N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide is CN(CC1CC(c2ccccc2)NN1)C(=O)CN1CCOC1=O.
What is the InChIKey of N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide?
The InChIKey is KTSUBVHDJLRSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-19(15(21)11-20-7-8-23-16(20)22)10-13-9-14(18-17-13)12-5-3-2-4-6-12/h2-6,13-14,17-18H,7-11H2,1H3.
What are the key properties of N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide?
N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide has a molecular weight of 318.38 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 133117616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).