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

C25H29N3O4 — CID 50762222

IUPAC(4-ethoxyphenyl)-[4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(Cc3nc(-c4ccc(OC)cc4)oc3C)CC2)cc1
InChIInChI=1S/C25H29N3O4/c1-4-31-22-11-7-20(8-12-22)25(29)28-15-13-27(14-16-28)17-23-18(2)32-24(26-23)19-5-9-21(30-3)10-6-19/h5-12H,4,13-17H2,1-3H3
InChIKeyBSFHAZDNXLFVHI-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.02
Rot. Bonds7

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

(4-ethoxyphenyl)-[4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone (PubChem CID 50762222) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
PubChem CID50762222
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name(4-ethoxyphenyl)-[4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(Cc3nc(-c4ccc(OC)cc4)oc3C)CC2)cc1
InChIInChI=1S/C25H29N3O4/c1-4-31-22-11-7-20(8-12-22)25(29)28-15-13-27(14-16-28)17-23-18(2)32-24(26-23)19-5-9-21(30-3)10-6-19/h5-12H,4,13-17H2,1-3H3
InChIKeyBSFHAZDNXLFVHI-UHFFFAOYSA-N
XLogP4.02
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methoxyphenyl)-[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
CID 50762202
N-(4-ethoxyphenyl)-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
CID 20955460
[4-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 25453062
N-(2,5-dimethoxyphenyl)-4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
CID 46364569
(3,5-dimethoxyphenyl)-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 55598801
ethyl 4-[[2-(4-methoxycarbonylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxylate
CID 28872252
[4-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 26396934
[1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51426678
1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,N-diethylpiperidine-4-carboxamide
CID 42095450
2-(4-methoxyphenyl)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 50762160
2-(4-methoxyphenyl)-5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazole
CID 53004330
(4-ethoxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571371

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-ethoxyphenyl)-[4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone (CID 50762222) is (4-ethoxyphenyl)-[4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethoxyphenyl)-[4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-ethoxyphenyl)-[4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone is CCOc1ccc(C(=O)N2CCN(Cc3nc(-c4ccc(OC)cc4)oc3C)CC2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is BSFHAZDNXLFVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-4-31-22-11-7-20(8-12-22)25(29)28-15-13-27(14-16-28)17-23-18(2)32-24(26-23)19-5-9-21(30-3)10-6-19/h5-12H,4,13-17H2,1-3H3.
What are the key properties of (4-ethoxyphenyl)-[4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone?
(4-ethoxyphenyl)-[4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 435.52 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 50762222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).