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

C24H25N5O2 — CID 71802773

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-one
SMILESCc1noc(C)c1Cn1c(N2CCN(c3ccccc3)CC2)nc2ccccc2c1=O
InChIInChI=1S/C24H25N5O2/c1-17-21(18(2)31-26-17)16-29-23(30)20-10-6-7-11-22(20)25-24(29)28-14-12-27(13-15-28)19-8-4-3-5-9-19/h3-11H,12-16H2,1-2H3
InChIKeyHFPCAODXDDBUEQ-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.38
Rot. Bonds4

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

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-one (PubChem CID 71802773) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-one.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-one
PubChem CID71802773
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-one
SMILESCc1noc(C)c1Cn1c(N2CCN(c3ccccc3)CC2)nc2ccccc2c1=O
InChIInChI=1S/C24H25N5O2/c1-17-21(18(2)31-26-17)16-29-23(30)20-10-6-7-11-22(20)25-24(29)28-14-12-27(13-15-28)19-8-4-3-5-9-19/h3-11H,12-16H2,1-2H3
InChIKeyHFPCAODXDDBUEQ-UHFFFAOYSA-N
XLogP3.38
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-one?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-one (CID 71802773) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-one.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-one?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-one is Cc1noc(C)c1Cn1c(N2CCN(c3ccccc3)CC2)nc2ccccc2c1=O.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-one?
The InChIKey is HFPCAODXDDBUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-17-21(18(2)31-26-17)16-29-23(30)20-10-6-7-11-22(20)25-24(29)28-14-12-27(13-15-28)19-8-4-3-5-9-19/h3-11H,12-16H2,1-2H3.
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-one?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-one has a molecular weight of 415.50 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-one is sourced from PubChem (CID 71802773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).