5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole

C18H20N4OS — CID 17496663

IUPAC5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESCc1oc(-c2cccs2)nc1CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H20N4OS/c1-14-15(20-18(23-14)16-5-4-12-24-16)13-21-8-10-22(11-9-21)17-6-2-3-7-19-17/h2-7,12H,8-11,13H2,1H3
InChIKeyNCPDBKNUFQIQKJ-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.43
Rot. Bonds4

About 5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole

5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole (PubChem CID 17496663) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole
PubChem CID17496663
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESCc1oc(-c2cccs2)nc1CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H20N4OS/c1-14-15(20-18(23-14)16-5-4-12-24-16)13-21-8-10-22(11-9-21)17-6-2-3-7-19-17/h2-7,12H,8-11,13H2,1H3
InChIKeyNCPDBKNUFQIQKJ-UHFFFAOYSA-N
XLogP3.43
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

2-[[5-Methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 5307495
1-[({[5-Methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}thio)acetyl]-4-pyridin-2-ylpiperazine
CID 3237129
4-[(4-Pyrazin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole
CID 45805958
5-methyl-4-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-2-thiophen-3-yl-1,3-oxazole
CID 53573025
4-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole
CID 56781674
2-(1-[(6-Methyl-2-pyridinyl)methyl]-4-{[5-methyl-2-(2-thienyl)-1,3-oxazol-4-yl]methyl}-2-piperazinyl)ethanol
CID 45201173
2,5-Dimethyl-3-(4-{[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}-1-piperazinyl)pyrazine
CID 25453348
N-(4-(4-(pyridin-2-yl)piperazine-1-carbonyl)oxazol-2-yl)thiophene-2-carboxamide
CID 52907981
(5-Thiophen-2-yl-1,3-oxazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 16672457
5-methyl-2-(5-methyl-2-thienyl)-4-[(2-propyl-1H-imidazol-1-yl)methyl]-1,3-oxazole
CID 56755102
5-methyl-4-[[(3R)-3-pyridin-4-ylpyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole
CID 164634655
2-methoxy-5-{2-[5-methyl-2-(2-thienyl)-1,3-oxazol-4-yl]-1H-imidazol-1-yl}pyridine
CID 56914035

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole (CID 17496663) is 5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole is Cc1oc(-c2cccs2)nc1CN1CCN(c2ccccn2)CC1.
What is the InChIKey of 5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is NCPDBKNUFQIQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-14-15(20-18(23-14)16-5-4-12-24-16)13-21-8-10-22(11-9-21)17-6-2-3-7-19-17/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole?
5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 340.45 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 17496663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).