5-methyl-4-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole

C21H27N5OS — CID 30750607

IUPAC5-methyl-4-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESCc1cc(N2CCN(Cc3nc(-c4cccs4)oc3C)CC2)nc(C(C)C)n1
InChIInChI=1S/C21H27N5OS/c1-14(2)20-22-15(3)12-19(24-20)26-9-7-25(8-10-26)13-17-16(4)27-21(23-17)18-6-5-11-28-18/h5-6,11-12,14H,7-10,13H2,1-4H3
InChIKeyNHPKGLUDBRISST-UHFFFAOYSA-N
MW397.55 g/mol
LogP4.26
Rot. Bonds5

About 5-methyl-4-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole

5-methyl-4-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole (PubChem CID 30750607) has the molecular formula C21H27N5OS and a molecular weight of 397.55 g/mol. Its IUPAC name is 5-methyl-4-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
PubChem CID30750607
Molecular FormulaC21H27N5OS
Molecular Weight397.55 g/mol
Exact Mass397.19
IUPAC Name5-methyl-4-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESCc1cc(N2CCN(Cc3nc(-c4cccs4)oc3C)CC2)nc(C(C)C)n1
InChIInChI=1S/C21H27N5OS/c1-14(2)20-22-15(3)12-19(24-20)26-9-7-25(8-10-26)13-17-16(4)27-21(23-17)18-6-5-11-28-18/h5-6,11-12,14H,7-10,13H2,1-4H3
InChIKeyNHPKGLUDBRISST-UHFFFAOYSA-N
XLogP4.26
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.55
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-methyl-4-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 34908198
2-[(2S)-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 30725006
(2R,6S)-2,6-dimethyl-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine
CID 26384790
4-[[(3R)-3-(methoxymethyl)piperidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 42382192
7-methyl-4-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]chromen-2-one
CID 17250966
4-methyl-2-propan-2-yl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine
CID 26539778
(3S)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine
CID 81491549
5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole
CID 65448292
N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928180
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 30665563
3-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
CID 79868555
[(2R)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 78916202

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 5-methyl-4-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole (CID 30750607) is 5-methyl-4-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 5-methyl-4-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole is Cc1cc(N2CCN(Cc3nc(-c4cccs4)oc3C)CC2)nc(C(C)C)n1.
What is the InChIKey of 5-methyl-4-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is NHPKGLUDBRISST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5OS/c1-14(2)20-22-15(3)12-19(24-20)26-9-7-25(8-10-26)13-17-16(4)27-21(23-17)18-6-5-11-28-18/h5-6,11-12,14H,7-10,13H2,1-4H3.
What are the key properties of 5-methyl-4-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
5-methyl-4-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 397.55 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 30750607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).