3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

C18H23N3O4 — CID 125008891

IUPAC3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1cc(CCC(=O)N2CCNC[C@H]2c2ccccc2OC)on1
InChIInChI=1S/C18H23N3O4/c1-23-16-6-4-3-5-14(16)15-12-19-9-10-21(15)18(22)8-7-13-11-17(24-2)20-25-13/h3-6,11,15,19H,7-10,12H2,1-2H3/t15-/m0/s1
InChIKeyUYJJHVCBKCVYHE-HNNXBMFYSA-N
MW345.40 g/mol
LogP1.80
Rot. Bonds6

About 3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 125008891) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID125008891
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1cc(CCC(=O)N2CCNC[C@H]2c2ccccc2OC)on1
InChIInChI=1S/C18H23N3O4/c1-23-16-6-4-3-5-14(16)15-12-19-9-10-21(15)18(22)8-7-13-11-17(24-2)20-25-13/h3-6,11,15,19H,7-10,12H2,1-2H3/t15-/m0/s1
InChIKeyUYJJHVCBKCVYHE-HNNXBMFYSA-N
XLogP1.80
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120733188
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 120733090
3-(1,3-benzoxazol-2-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 120734145
3-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 120735115
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 120734985
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 120733903
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 120735113
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione;hydrochloride
CID 120735112
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)butan-1-one
CID 120734991
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-4-yl)propan-1-one
CID 120734905
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutan-1-one;hydrochloride
CID 120733635
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-2-yl)propan-1-one
CID 120734193

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one (CID 125008891) is 3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one is COc1cc(CCC(=O)N2CCNC[C@H]2c2ccccc2OC)on1.
What is the InChIKey of 3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is UYJJHVCBKCVYHE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-23-16-6-4-3-5-14(16)15-12-19-9-10-21(15)18(22)8-7-13-11-17(24-2)20-25-13/h3-6,11,15,19H,7-10,12H2,1-2H3/t15-/m0/s1.
What are the key properties of 3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 345.40 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 125008891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).