(4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone

C16H19N3O2S — CID 90502501

IUPAC(4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone
SMILESCN1CCN(C(=O)C2(c3cc(-c4cccs4)on3)CC2)CC1
InChIInChI=1S/C16H19N3O2S/c1-18-6-8-19(9-7-18)15(20)16(4-5-16)14-11-12(21-17-14)13-3-2-10-22-13/h2-3,10-11H,4-9H2,1H3
InChIKeyXMPLPHSLVXUPGL-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.21
Rot. Bonds3

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

(4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone (PubChem CID 90502501) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone
PubChem CID90502501
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name(4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone
SMILESCN1CCN(C(=O)C2(c3cc(-c4cccs4)on3)CC2)CC1
InChIInChI=1S/C16H19N3O2S/c1-18-6-8-19(9-7-18)15(20)16(4-5-16)14-11-12(21-17-14)13-3-2-10-22-13/h2-3,10-11H,4-9H2,1H3
InChIKeyXMPLPHSLVXUPGL-UHFFFAOYSA-N
XLogP2.21
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone
CID 90502513
1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid
CID 102543851
N-(4-acetamidophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502598
N-(3,5-dichlorophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502682
(4-hydroxy-4-methylpiperidin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 80706468
N-benzhydryl-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502552
N-(1-adamantyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502699
1-[4-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 90503872
1-(5-thiophen-2-yl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
CID 90502702
N-(5-methyl-1,3-thiazol-2-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502740
[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanol
CID 102543890
(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 103726970

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone (CID 90502501) is (4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone is CN1CCN(C(=O)C2(c3cc(-c4cccs4)on3)CC2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone?
The InChIKey is XMPLPHSLVXUPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-18-6-8-19(9-7-18)15(20)16(4-5-16)14-11-12(21-17-14)13-3-2-10-22-13/h2-3,10-11H,4-9H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone?
(4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone has a molecular weight of 317.41 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone is sourced from PubChem (CID 90502501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).