3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one

C21H23N7O3 — CID 54156009

IUPAC3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1nc(-c2ccc(N3CC(CN4CCN(c5ncccn5)CC4)OC3=O)cc2)no1
InChIInChI=1S/C21H23N7O3/c1-15-24-19(25-31-15)16-3-5-17(6-4-16)28-14-18(30-21(28)29)13-26-9-11-27(12-10-26)20-22-7-2-8-23-20/h2-8,18H,9-14H2,1H3
InChIKeyOLCDTCXUSDJACZ-UHFFFAOYSA-N
MW421.46 g/mol
LogP1.98
Rot. Bonds5

About 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one

3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 54156009) has the molecular formula C21H23N7O3 and a molecular weight of 421.46 g/mol. Its IUPAC name is 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID54156009
Molecular FormulaC21H23N7O3
Molecular Weight421.46 g/mol
Exact Mass421.19
IUPAC Name3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1nc(-c2ccc(N3CC(CN4CCN(c5ncccn5)CC4)OC3=O)cc2)no1
InChIInChI=1S/C21H23N7O3/c1-15-24-19(25-31-15)16-3-5-17(6-4-16)28-14-18(30-21(28)29)13-26-9-11-27(12-10-26)20-22-7-2-8-23-20/h2-8,18H,9-14H2,1H3
InChIKeyOLCDTCXUSDJACZ-UHFFFAOYSA-N
XLogP1.98
TPSA100.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 57250790
3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-(3-nitrobenzoyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one
CID 54318818
3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one
CID 54531284
3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one
CID 57296286
3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzenesulfonyl chloride
CID 158204711
dibenzyl 2-[4-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanedioate
CID 70050476
4-bromo-2-ethylbenzenesulfonyl chloride;5-[[4-(4-bromo-2-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 159182329
N-(4-fluoro-3-nitrophenyl)-4-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazine-1-carboxamide
CID 10301822
N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]butane-1-sulfonamide
CID 54541927
N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylethenesulfonamide
CID 70072551
[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl] hydrogen carbonate
CID 70098731
[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl] methanesulfonate
CID 151574030

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one (CID 54156009) is 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one is Cc1nc(-c2ccc(N3CC(CN4CCN(c5ncccn5)CC4)OC3=O)cc2)no1.
What is the InChIKey of 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is OLCDTCXUSDJACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O3/c1-15-24-19(25-31-15)16-3-5-17(6-4-16)28-14-18(30-21(28)29)13-26-9-11-27(12-10-26)20-22-7-2-8-23-20/h2-8,18H,9-14H2,1H3.
What are the key properties of 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one?
3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 421.46 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 54156009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).