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

C19H25N7O — CID 163349540

IUPAC4-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole
SMILESCc1nc(N2CCN(Cc3ncoc3C(C)C)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C19H25N7O/c1-14(2)19-16(20-13-27-19)12-24-7-9-25(10-8-24)17-11-18(23-15(3)22-17)26-6-4-5-21-26/h4-6,11,13-14H,7-10,12H2,1-3H3
InChIKeySNRJMIDQXBSMHX-UHFFFAOYSA-N
MW367.46 g/mol
LogP2.40
Rot. Bonds5

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

4-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole (PubChem CID 163349540) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 4-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole
PubChem CID163349540
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name4-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole
SMILESCc1nc(N2CCN(Cc3ncoc3C(C)C)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C19H25N7O/c1-14(2)19-16(20-13-27-19)12-24-7-9-25(10-8-24)17-11-18(23-15(3)22-17)26-6-4-5-21-26/h4-6,11,13-14H,7-10,12H2,1-3H3
InChIKeySNRJMIDQXBSMHX-UHFFFAOYSA-N
XLogP2.40
TPSA76.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

2-methyl-4-pyrazol-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 154830051
4-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 166605280
4-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 154581240
4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 165432983
4-[[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole
CID 155975015
2-methyl-4-[4-[2-(4-methylpyrazol-1-yl)ethyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 163346366
1-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]cyclopentan-1-ol
CID 163354538
4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 154581270
2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
CID 154883096
2-[2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913451
2-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine
CID 121072523
1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-phenylbutan-1-one
CID 122337670

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole (CID 163349540) is 4-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole is Cc1nc(N2CCN(Cc3ncoc3C(C)C)CC2)cc(-n2cccn2)n1.
What is the InChIKey of 4-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole?
The InChIKey is SNRJMIDQXBSMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-14(2)19-16(20-13-27-19)12-24-7-9-25(10-8-24)17-11-18(23-15(3)22-17)26-6-4-5-21-26/h4-6,11,13-14H,7-10,12H2,1-3H3.
What are the key properties of 4-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole?
4-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole has a molecular weight of 367.46 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 163349540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).