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

C19H19N3O3S — CID 3240409

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(-c3cccs3)on2)CC1
InChIInChI=1S/C19H19N3O3S/c1-24-16-6-3-2-5-15(16)21-8-10-22(11-9-21)19(23)14-13-17(25-20-14)18-7-4-12-26-18/h2-7,12-13H,8-11H2,1H3
InChIKeyLBZMJRVHAZGIAZ-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.37
Rot. Bonds4

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

[4-(2-methoxyphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 3240409) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID3240409
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(-c3cccs3)on2)CC1
InChIInChI=1S/C19H19N3O3S/c1-24-16-6-3-2-5-15(16)21-8-10-22(11-9-21)19(23)14-13-17(25-20-14)18-7-4-12-26-18/h2-7,12-13H,8-11H2,1H3
InChIKeyLBZMJRVHAZGIAZ-UHFFFAOYSA-N
XLogP3.37
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (CID 3240409) is [4-(2-methoxyphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is COc1ccccc1N1CCN(C(=O)c2cc(-c3cccs3)on2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is LBZMJRVHAZGIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-24-16-6-3-2-5-15(16)21-8-10-22(11-9-21)19(23)14-13-17(25-20-14)18-7-4-12-26-18/h2-7,12-13H,8-11H2,1H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 369.45 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 3240409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).