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

C22H23N3O3 — CID 71511184

IUPAC[4-(3-methoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
SMILESCOc1cccc(N2CCN(C(=O)c3oc(C)nc3-c3ccccc3)CC2)c1
InChIInChI=1S/C22H23N3O3/c1-16-23-20(17-7-4-3-5-8-17)21(28-16)22(26)25-13-11-24(12-14-25)18-9-6-10-19(15-18)27-2/h3-10,15H,11-14H2,1-2H3
InChIKeyYTMYOLFNDDLEEJ-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.62
Rot. Bonds4

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

[4-(3-methoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone (PubChem CID 71511184) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
PubChem CID71511184
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name[4-(3-methoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
SMILESCOc1cccc(N2CCN(C(=O)c3oc(C)nc3-c3ccccc3)CC2)c1
InChIInChI=1S/C22H23N3O3/c1-16-23-20(17-7-4-3-5-8-17)21(28-16)22(26)25-13-11-24(12-14-25)18-9-6-10-19(15-18)27-2/h3-10,15H,11-14H2,1-2H3
InChIKeyYTMYOLFNDDLEEJ-UHFFFAOYSA-N
XLogP3.62
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-(benzyloxy)phenyl)propane
CID 16735159
3-(4-(Phenoxymethyl)phenyl)-1-(5-(pyridin-2-yl)oxazol-2-yl)propan-1-one
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1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(3-(benzyloxy)phenyl)-propane
CID 16735160
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-phenoxyphenyl)propane
CID 16735161
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(4-methoxyphenyl)heptane
CID 16735383
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(3-methoxyphenyl)heptane
CID 16736437
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(2-methoxyphenyl)heptane
CID 16736927
N-{2-[ethyl(phenyl)amino]ethyl}-1-{[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carboxamide
CID 3238586
1-(5-(4-Methoxypyridin-2-yl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110651
[4-(4-Fluorophenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 2572028
N-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 2540266
2-(3-aminophenoxy)-N-[(2S)-2-(2-benzoylanilino)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propyl]acetamide
CID 11621704

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone (CID 71511184) is [4-(3-methoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(3-methoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [4-(3-methoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone is COc1cccc(N2CCN(C(=O)c3oc(C)nc3-c3ccccc3)CC2)c1.
What is the InChIKey of [4-(3-methoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone?
The InChIKey is YTMYOLFNDDLEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-16-23-20(17-7-4-3-5-8-17)21(28-16)22(26)25-13-11-24(12-14-25)18-9-6-10-19(15-18)27-2/h3-10,15H,11-14H2,1-2H3.
What are the key properties of [4-(3-methoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone?
[4-(3-methoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone has a molecular weight of 377.44 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 71511184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).