[4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone

C23H25N3O3 — CID 97316304

IUPAC[4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone
SMILESCOc1ccccc1[C@@H](C)N1CCN(C(=O)c2ncoc2-c2ccccc2)CC1
InChIInChI=1S/C23H25N3O3/c1-17(19-10-6-7-11-20(19)28-2)25-12-14-26(15-13-25)23(27)21-22(29-16-24-21)18-8-4-3-5-9-18/h3-11,16-17H,12-15H2,1-2H3/t17-/m1/s1
InChIKeyNPBQROMFIOXYKX-QGZVFWFLSA-N
MW391.47 g/mol
LogP3.87
Rot. Bonds5

About [4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone

[4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone (PubChem CID 97316304) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is [4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone
PubChem CID97316304
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name[4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone
SMILESCOc1ccccc1[C@@H](C)N1CCN(C(=O)c2ncoc2-c2ccccc2)CC1
InChIInChI=1S/C23H25N3O3/c1-17(19-10-6-7-11-20(19)28-2)25-12-14-26(15-13-25)23(27)21-22(29-16-24-21)18-8-4-3-5-9-18/h3-11,16-17H,12-15H2,1-2H3/t17-/m1/s1
InChIKeyNPBQROMFIOXYKX-QGZVFWFLSA-N
XLogP3.87
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone with MolForge

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Related Compounds

[4-(2-methoxyethyl)piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone
CID 16674237
(5-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110689240
[4-(3-chlorophenyl)piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone
CID 11360631
[4-[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 126469013
(2,3-dimethoxyphenyl)-[4-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperazin-1-yl]methanone
CID 75463255
2-[1-[1-(2-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
CID 79606010
1-[4-[1-(2-methoxyphenyl)ethyl]piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 75375628
[5-(4-fluorophenyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 110244642
2-(2-methoxyphenoxy)-1-[4-(1-phenylethyl)piperazin-1-yl]ethanone
CID 113074011
5-phenyl-1,3-oxazole-4-carboxylate
CID 6932039
[4-(difluoromethoxy)-3-methoxyphenyl]-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 46403384
(7-methoxy-1-benzofuran-2-yl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 78870629

Frequently Asked Questions

What is the IUPAC name of [4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone (CID 97316304) is [4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone is COc1ccccc1[C@@H](C)N1CCN(C(=O)c2ncoc2-c2ccccc2)CC1.
What is the InChIKey of [4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone?
The InChIKey is NPBQROMFIOXYKX-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-17(19-10-6-7-11-20(19)28-2)25-12-14-26(15-13-25)23(27)21-22(29-16-24-21)18-8-4-3-5-9-18/h3-11,16-17H,12-15H2,1-2H3/t17-/m1/s1.
What are the key properties of [4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone?
[4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone has a molecular weight of 391.47 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 97316304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).