3-[3-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one

C22H25N5O4 — CID 86877519

IUPAC3-[3-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
SMILESCc1noc(C)c1CC(=O)N1CCN(C(=O)CCn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C22H25N5O4/c1-15-18(16(2)31-24-15)13-21(29)26-11-9-25(10-12-26)20(28)7-8-27-14-23-19-6-4-3-5-17(19)22(27)30/h3-6,14H,7-13H2,1-2H3
InChIKeyAKUBLNYBCMLHKL-UHFFFAOYSA-N
MW423.47 g/mol
LogP1.30
Rot. Bonds5

About 3-[3-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one

3-[3-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one (PubChem CID 86877519) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 3-[3-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[3-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
PubChem CID86877519
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name3-[3-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
SMILESCc1noc(C)c1CC(=O)N1CCN(C(=O)CCn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C22H25N5O4/c1-15-18(16(2)31-24-15)13-21(29)26-11-9-25(10-12-26)20(28)7-8-27-14-23-19-6-4-3-5-17(19)22(27)30/h3-6,14H,7-13H2,1-2H3
InChIKeyAKUBLNYBCMLHKL-UHFFFAOYSA-N
XLogP1.30
TPSA101.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[3-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one with MolForge

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Related Compounds

3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride
CID 119402237
3-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 90506363
3-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]quinazolin-4-one
CID 56809684
N-[3-(benzimidazol-1-yl)propyl]-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazine-1-carboxamide
CID 86879784
3-[3-oxo-3-(1,3-thiazolidin-3-yl)propyl]quinazolin-4-one
CID 122332128
3-[4-(azepan-1-yl)-4-oxobutyl]quinazolin-4-one
CID 4911229
3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 4900240
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone
CID 71709857
2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholin-2-yl]acetic acid
CID 119248183
7-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897241
3-[3-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 122333851

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one?
The IUPAC name of 3-[3-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one (CID 86877519) is 3-[3-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one.
What is the SMILES notation for 3-[3-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one?
The canonical SMILES for 3-[3-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one is Cc1noc(C)c1CC(=O)N1CCN(C(=O)CCn2cnc3ccccc3c2=O)CC1.
What is the InChIKey of 3-[3-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one?
The InChIKey is AKUBLNYBCMLHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-15-18(16(2)31-24-15)13-21(29)26-11-9-25(10-12-26)20(28)7-8-27-14-23-19-6-4-3-5-17(19)22(27)30/h3-6,14H,7-13H2,1-2H3.
What are the key properties of 3-[3-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one?
3-[3-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one has a molecular weight of 423.47 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one is sourced from PubChem (CID 86877519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).