[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-oxazol-5-yl)methanone

C16H19N3O3 — CID 110098385

IUPAC[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-oxazol-5-yl)methanone
SMILESCOc1ccc(C2CN(C(=O)c3cnco3)CCN2C)cc1
InChIInChI=1S/C16H19N3O3/c1-18-7-8-19(16(20)15-9-17-11-22-15)10-14(18)12-3-5-13(21-2)6-4-12/h3-6,9,11,14H,7-8,10H2,1-2H3
InChIKeyDGRGTJBVMBTHGC-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.81
Rot. Bonds3

About [3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-oxazol-5-yl)methanone

[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-oxazol-5-yl)methanone (PubChem CID 110098385) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-oxazol-5-yl)methanone
PubChem CID110098385
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-oxazol-5-yl)methanone
SMILESCOc1ccc(C2CN(C(=O)c3cnco3)CCN2C)cc1
InChIInChI=1S/C16H19N3O3/c1-18-7-8-19(16(20)15-9-17-11-22-15)10-14(18)12-3-5-13(21-2)6-4-12/h3-6,9,11,14H,7-8,10H2,1-2H3
InChIKeyDGRGTJBVMBTHGC-UHFFFAOYSA-N
XLogP1.81
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 124953934
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 124977561
[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-thiophen-3-ylmethanone
CID 110109712
5-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1-methylpyridin-2-one
CID 110109723
[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1,3-oxazol-5-yl)methanone
CID 124967063
6-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 110109729
4-imidazol-1-yl-1-[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one
CID 110098335
[3-(4-methylphenoxy)azetidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 90650534
[(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 124988037
(4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 90652453
[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-pyridin-4-ylmethanone
CID 84513587
(2-methoxyphenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110418480

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-oxazol-5-yl)methanone?
The IUPAC name of [3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-oxazol-5-yl)methanone (CID 110098385) is [3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-oxazol-5-yl)methanone?
The canonical SMILES for [3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-oxazol-5-yl)methanone is COc1ccc(C2CN(C(=O)c3cnco3)CCN2C)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-oxazol-5-yl)methanone?
The InChIKey is DGRGTJBVMBTHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-18-7-8-19(16(20)15-9-17-11-22-15)10-14(18)12-3-5-13(21-2)6-4-12/h3-6,9,11,14H,7-8,10H2,1-2H3.
What are the key properties of [3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-oxazol-5-yl)methanone?
[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-oxazol-5-yl)methanone has a molecular weight of 301.35 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 110098385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).