3-[4-[4-(2-ethenyl-3-methylphenyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one

C23H25N3O3 — CID 54755000

IUPAC3-[4-[4-(2-ethenyl-3-methylphenyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
SMILESC=Cc1c(C)cccc1N1CCN(C(=O)c2ccc(N3CCOC3=O)cc2)CC1
InChIInChI=1S/C23H25N3O3/c1-3-20-17(2)5-4-6-21(20)24-11-13-25(14-12-24)22(27)18-7-9-19(10-8-18)26-15-16-29-23(26)28/h3-10H,1,11-16H2,2H3
InChIKeyUSXOSZHJSPQITA-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.56
Rot. Bonds4

About 3-[4-[4-(2-ethenyl-3-methylphenyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one

3-[4-[4-(2-ethenyl-3-methylphenyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 54755000) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-[4-[4-(2-ethenyl-3-methylphenyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[4-(2-ethenyl-3-methylphenyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID54755000
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name3-[4-[4-(2-ethenyl-3-methylphenyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
SMILESC=Cc1c(C)cccc1N1CCN(C(=O)c2ccc(N3CCOC3=O)cc2)CC1
InChIInChI=1S/C23H25N3O3/c1-3-20-17(2)5-4-6-21(20)24-11-13-25(14-12-24)22(27)18-7-9-19(10-8-18)26-15-16-29-23(26)28/h3-10H,1,11-16H2,2H3
InChIKeyUSXOSZHJSPQITA-UHFFFAOYSA-N
XLogP3.56
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[4-(2,4-dimethylphenyl)-4-oxidopiperazin-4-ium-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
CID 87378577
(4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28722555
(4-bromophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 1221745
3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;ethane;methoxyethane
CID 143982825
N,N-diethyl-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 52587818
3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;methoxyethane
CID 143982799
3-[4-[(3R)-3-ethylsulfanylazepane-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
CID 95622851
(3-amino-4-methylphenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28723517
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzonitrile
CID 2426903
[4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 589575
5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 110693026
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 3280482

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(2-ethenyl-3-methylphenyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[4-(2-ethenyl-3-methylphenyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one (CID 54755000) is 3-[4-[4-(2-ethenyl-3-methylphenyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[4-(2-ethenyl-3-methylphenyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[4-(2-ethenyl-3-methylphenyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one is C=Cc1c(C)cccc1N1CCN(C(=O)c2ccc(N3CCOC3=O)cc2)CC1.
What is the InChIKey of 3-[4-[4-(2-ethenyl-3-methylphenyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is USXOSZHJSPQITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-3-20-17(2)5-4-6-21(20)24-11-13-25(14-12-24)22(27)18-7-9-19(10-8-18)26-15-16-29-23(26)28/h3-10H,1,11-16H2,2H3.
What are the key properties of 3-[4-[4-(2-ethenyl-3-methylphenyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one?
3-[4-[4-(2-ethenyl-3-methylphenyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 391.47 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(2-ethenyl-3-methylphenyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 54755000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).