[4-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone

C20H19N3O3S — CID 3232265

IUPAC[4-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCc1ccc(-c2ocnc2C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C20H19N3O3S/c1-14-4-6-15(7-5-14)18-17(21-13-26-18)20(25)23-10-8-22(9-11-23)19(24)16-3-2-12-27-16/h2-7,12-13H,8-11H2,1H3
InChIKeyKCHZWXFWBVSGKI-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.31
Rot. Bonds3

About [4-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone

[4-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 3232265) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is [4-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID3232265
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name[4-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCc1ccc(-c2ocnc2C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C20H19N3O3S/c1-14-4-6-15(7-5-14)18-17(21-13-26-18)20(25)23-10-8-22(9-11-23)19(24)16-3-2-12-27-16/h2-7,12-13H,8-11H2,1H3
InChIKeyKCHZWXFWBVSGKI-UHFFFAOYSA-N
XLogP3.31
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone (CID 3232265) is [4-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone is Cc1ccc(-c2ocnc2C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1.
What is the InChIKey of [4-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is KCHZWXFWBVSGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-14-4-6-15(7-5-14)18-17(21-13-26-18)20(25)23-10-8-22(9-11-23)19(24)16-3-2-12-27-16/h2-7,12-13H,8-11H2,1H3.
What are the key properties of [4-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone?
[4-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 381.46 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 3232265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).