4-[[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole

C21H25N5O — CID 91834020

IUPAC4-[[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1nc(CN2CCN(c3nccc(-c4ccccc4)n3)CC2)co1
InChIInChI=1S/C21H25N5O/c1-16(2)20-23-18(15-27-20)14-25-10-12-26(13-11-25)21-22-9-8-19(24-21)17-6-4-3-5-7-17/h3-9,15-16H,10-14H2,1-2H3
InChIKeyIDVBOVSGBNINGW-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.58
Rot. Bonds5

About 4-[[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole

4-[[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole (PubChem CID 91834020) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-[[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole
PubChem CID91834020
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name4-[[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1nc(CN2CCN(c3nccc(-c4ccccc4)n3)CC2)co1
InChIInChI=1S/C21H25N5O/c1-16(2)20-23-18(15-27-20)14-25-10-12-26(13-11-25)21-22-9-8-19(24-21)17-6-4-3-5-7-17/h3-9,15-16H,10-14H2,1-2H3
InChIKeyIDVBOVSGBNINGW-UHFFFAOYSA-N
XLogP3.58
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-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

2-[4-[[(3S)-oxolan-3-yl]methyl]piperazin-1-yl]-4-phenylpyrimidine
CID 124754745
5-cyclopropyl-3-[[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 163352191
(2S)-1-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95326252
2-[4-[(1-methyl-2-phenylimidazol-4-yl)methyl]piperazin-1-yl]pyrimidine
CID 10308727
2-(4-ethoxyphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 56675706
N-[(2S)-2-methoxypropyl]-4-(4-phenylpyrimidin-2-yl)piperazine-1-carboxamide
CID 125448423
4-(1,4-diazepan-1-ylmethyl)-2-propan-2-yl-1,3-oxazole;dihydrochloride
CID 154904151
1'-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 77080326
4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886571
N-ethyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
CID 163349475
5-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 163345680
2-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 112896348

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-[[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole (CID 91834020) is 4-[[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-[[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole is CC(C)c1nc(CN2CCN(c3nccc(-c4ccccc4)n3)CC2)co1.
What is the InChIKey of 4-[[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole?
The InChIKey is IDVBOVSGBNINGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-16(2)20-23-18(15-27-20)14-25-10-12-26(13-11-25)21-22-9-8-19(24-21)17-6-4-3-5-7-17/h3-9,15-16H,10-14H2,1-2H3.
What are the key properties of 4-[[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole?
4-[[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole has a molecular weight of 363.47 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 91834020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).