4-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one

C20H21N3O2S — CID 29026134

IUPAC4-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one
SMILESCc1ccsc1-c1nc(CN2CCN(c3ccccc3)C(=O)C2)c(C)o1
InChIInChI=1S/C20H21N3O2S/c1-14-8-11-26-19(14)20-21-17(15(2)25-20)12-22-9-10-23(18(24)13-22)16-6-4-3-5-7-16/h3-8,11H,9-10,12-13H2,1-2H3
InChIKeyQXRBNVSDYVKUPR-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.87
Rot. Bonds4

About 4-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one

4-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one (PubChem CID 29026134) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one
PubChem CID29026134
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name4-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one
SMILESCc1ccsc1-c1nc(CN2CCN(c3ccccc3)C(=O)C2)c(C)o1
InChIInChI=1S/C20H21N3O2S/c1-14-8-11-26-19(14)20-21-17(15(2)25-20)12-22-9-10-23(18(24)13-22)16-6-4-3-5-7-16/h3-8,11H,9-10,12-13H2,1-2H3
InChIKeyQXRBNVSDYVKUPR-UHFFFAOYSA-N
XLogP3.87
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one
CID 25374674
1-(3-methoxyphenyl)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-2-one
CID 29253890
5-methyl-2-(3-methylthiophen-2-yl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 31193569
4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-phenylpiperazin-2-one
CID 131946303
[1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 45207551
(3S,4S)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-4-propan-2-yloxypyrrolidin-3-ol
CID 56865363
(1R,5S)-8-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 56740850
[(3S)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 42516670
[(3R)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 42516668
1-[(3-methylphenyl)methyl]-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-2-one
CID 25458230
N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 56748813
2-amino-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947498

Frequently Asked Questions

What is the IUPAC name of 4-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one?
The IUPAC name of 4-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one (CID 29026134) is 4-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one.
What is the SMILES notation for 4-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one?
The canonical SMILES for 4-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one is Cc1ccsc1-c1nc(CN2CCN(c3ccccc3)C(=O)C2)c(C)o1.
What is the InChIKey of 4-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one?
The InChIKey is QXRBNVSDYVKUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14-8-11-26-19(14)20-21-17(15(2)25-20)12-22-9-10-23(18(24)13-22)16-6-4-3-5-7-16/h3-8,11H,9-10,12-13H2,1-2H3.
What are the key properties of 4-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one?
4-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one has a molecular weight of 367.47 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one is sourced from PubChem (CID 29026134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).