[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(4-phenylpiperazin-1-yl)methanone

C21H21N3O3 — CID 15988658

IUPAC[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4)CC3)no2)cc1
InChIInChI=1S/C21H21N3O3/c1-26-18-9-7-16(8-10-18)20-15-19(22-27-20)21(25)24-13-11-23(12-14-24)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3
InChIKeyHYFSZRKBNNHNJR-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.31
Rot. Bonds4

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

[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 15988658) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID15988658
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4)CC3)no2)cc1
InChIInChI=1S/C21H21N3O3/c1-26-18-9-7-16(8-10-18)20-15-19(22-27-20)21(25)24-13-11-23(12-14-24)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3
InChIKeyHYFSZRKBNNHNJR-UHFFFAOYSA-N
XLogP3.31
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(4-phenylpiperazin-1-yl)methanone (CID 15988658) is [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(4-phenylpiperazin-1-yl)methanone is COc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4)CC3)no2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is HYFSZRKBNNHNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-26-18-9-7-16(8-10-18)20-15-19(22-27-20)21(25)24-13-11-23(12-14-24)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3.
What are the key properties of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(4-phenylpiperazin-1-yl)methanone?
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 363.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 15988658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).