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

C22H23N3O2 — CID 110646405

IUPAC[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-(3-phenylphenyl)methanone
SMILESCc1cc(CN2CCN(C(=O)c3cccc(-c4ccccc4)c3)CC2)no1
InChIInChI=1S/C22H23N3O2/c1-17-14-21(23-27-17)16-24-10-12-25(13-11-24)22(26)20-9-5-8-19(15-20)18-6-3-2-4-7-18/h2-9,14-15H,10-13,16H2,1H3
InChIKeyUIVPUPUWHQGARX-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.61
Rot. Bonds4

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

[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-(3-phenylphenyl)methanone (PubChem CID 110646405) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is [4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-(3-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-(3-phenylphenyl)methanone
PubChem CID110646405
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-(3-phenylphenyl)methanone
SMILESCc1cc(CN2CCN(C(=O)c3cccc(-c4ccccc4)c3)CC2)no1
InChIInChI=1S/C22H23N3O2/c1-17-14-21(23-27-17)16-24-10-12-25(13-11-24)22(26)20-9-5-8-19(15-20)18-6-3-2-4-7-18/h2-9,14-15H,10-13,16H2,1H3
InChIKeyUIVPUPUWHQGARX-UHFFFAOYSA-N
XLogP3.61
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dichlorophenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 110423059
N-[1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 86908237
(4-fluorophenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 110423049
(5-methylfuran-2-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 56810132
1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone
CID 110755413
(3-ethoxy-4-methoxyphenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 86908243
[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110646494
2-(4-benzoylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9223107
phenyl-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 8597017
N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]benzamide
CID 33106364
3-amino-2-methyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 119835184
3-amino-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119835222

Frequently Asked Questions

What is the IUPAC name of [4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-(3-phenylphenyl)methanone?
The IUPAC name of [4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-(3-phenylphenyl)methanone (CID 110646405) is [4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-(3-phenylphenyl)methanone.
What is the SMILES notation for [4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-(3-phenylphenyl)methanone?
The canonical SMILES for [4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-(3-phenylphenyl)methanone is Cc1cc(CN2CCN(C(=O)c3cccc(-c4ccccc4)c3)CC2)no1.
What is the InChIKey of [4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-(3-phenylphenyl)methanone?
The InChIKey is UIVPUPUWHQGARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-17-14-21(23-27-17)16-24-10-12-25(13-11-24)22(26)20-9-5-8-19(15-20)18-6-3-2-4-7-18/h2-9,14-15H,10-13,16H2,1H3.
What are the key properties of [4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-(3-phenylphenyl)methanone?
[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-(3-phenylphenyl)methanone has a molecular weight of 361.45 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-(3-phenylphenyl)methanone is sourced from PubChem (CID 110646405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).