7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one

C20H25N5O3 — CID 126898652

IUPAC7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one
SMILESCc1noc(C)c1CN1CCN(c2ccc3c(=O)n(CCO)cnc3c2)CC1
InChIInChI=1S/C20H25N5O3/c1-14-18(15(2)28-22-14)12-23-5-7-24(8-6-23)16-3-4-17-19(11-16)21-13-25(9-10-26)20(17)27/h3-4,11,13,26H,5-10,12H2,1-2H3
InChIKeyWBWCVJCEMUJEOU-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.32
Rot. Bonds5

About 7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one

7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one (PubChem CID 126898652) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one.

Molecular Properties

Compound Name7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one
PubChem CID126898652
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one
SMILESCc1noc(C)c1CN1CCN(c2ccc3c(=O)n(CCO)cnc3c2)CC1
InChIInChI=1S/C20H25N5O3/c1-14-18(15(2)28-22-14)12-23-5-7-24(8-6-23)16-3-4-17-19(11-16)21-13-25(9-10-26)20(17)27/h3-4,11,13,26H,5-10,12H2,1-2H3
InChIKeyWBWCVJCEMUJEOU-UHFFFAOYSA-N
XLogP1.32
TPSA87.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one 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

7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896910
3-(2-hydroxyethyl)-7-[4-(1,2,4-oxadiazol-5-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126898761
3-(2-hydroxyethyl)-7-[4-[(1-methyl-6-oxopyridazin-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126898729
3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one
CID 126898641
3-(2-hydroxyethyl)-7-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126898756
3-(2-hydroxyethyl)-7-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]quinazolin-4-one
CID 126898638
3-(2-hydroxyethyl)-7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-one
CID 126898605
3-(2-hydroxyethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-one
CID 126898623
3-(2-hydroxyethyl)-7-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126898635
7-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126898766
3-(2-hydroxyethyl)-7-[4-[2-(2-oxopyrazin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one
CID 126898736
3-(2-hydroxyethyl)-7-[4-[2-(3-methylimidazol-4-yl)ethyl]piperazin-1-yl]quinazolin-4-one
CID 126898790

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one?
The IUPAC name of 7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one (CID 126898652) is 7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one.
What is the SMILES notation for 7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one?
The canonical SMILES for 7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one is Cc1noc(C)c1CN1CCN(c2ccc3c(=O)n(CCO)cnc3c2)CC1.
What is the InChIKey of 7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one?
The InChIKey is WBWCVJCEMUJEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-14-18(15(2)28-22-14)12-23-5-7-24(8-6-23)16-3-4-17-19(11-16)21-13-25(9-10-26)20(17)27/h3-4,11,13,26H,5-10,12H2,1-2H3.
What are the key properties of 7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one?
7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one has a molecular weight of 383.45 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one is sourced from PubChem (CID 126898652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).