(3-methoxyphenyl)-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone

C21H23N3O3S — CID 35230871

IUPAC(3-methoxyphenyl)-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(Cc3nc(-c4cccs4)oc3C)CC2)c1
InChIInChI=1S/C21H23N3O3S/c1-15-18(22-20(27-15)19-7-4-12-28-19)14-23-8-10-24(11-9-23)21(25)16-5-3-6-17(13-16)26-2/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyMMJUGSAUGCYIFO-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.68
Rot. Bonds5

About (3-methoxyphenyl)-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone

(3-methoxyphenyl)-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone (PubChem CID 35230871) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is (3-methoxyphenyl)-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone
PubChem CID35230871
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name(3-methoxyphenyl)-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(Cc3nc(-c4cccs4)oc3C)CC2)c1
InChIInChI=1S/C21H23N3O3S/c1-15-18(22-20(27-15)19-7-4-12-28-19)14-23-8-10-24(11-9-23)21(25)16-5-3-6-17(13-16)26-2/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyMMJUGSAUGCYIFO-UHFFFAOYSA-N
XLogP3.68
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dimethoxyphenyl)-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 55598801
(4-methoxyphenyl)-[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
CID 50762202
[4-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 25453062
(3-methoxyphenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 780195
(4-ethoxyphenyl)-[4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
CID 50762222
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 30665563
[4-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 26396934
4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 42379670
(3-methoxyphenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 95849844
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 8624049
N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928180
1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 55515759

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone (CID 35230871) is (3-methoxyphenyl)-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone is COc1cccc(C(=O)N2CCN(Cc3nc(-c4cccs4)oc3C)CC2)c1.
What is the InChIKey of (3-methoxyphenyl)-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is MMJUGSAUGCYIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-15-18(22-20(27-15)19-7-4-12-28-19)14-23-8-10-24(11-9-23)21(25)16-5-3-6-17(13-16)26-2/h3-7,12-13H,8-11,14H2,1-2H3.
What are the key properties of (3-methoxyphenyl)-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone?
(3-methoxyphenyl)-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 397.50 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 35230871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).