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

C19H23N5O2 — CID 126896910

IUPAC7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one
SMILESCc1noc(C)c1CN1CCN(c2ccc3c(=O)n(C)cnc3c2)CC1
InChIInChI=1S/C19H23N5O2/c1-13-17(14(2)26-21-13)11-23-6-8-24(9-7-23)15-4-5-16-18(10-15)20-12-22(3)19(16)25/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyPOLXQIRGXDFBRX-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.86
Rot. Bonds3

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

7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one (PubChem CID 126896910) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one
PubChem CID126896910
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one
SMILESCc1noc(C)c1CN1CCN(c2ccc3c(=O)n(C)cnc3c2)CC1
InChIInChI=1S/C19H23N5O2/c1-13-17(14(2)26-21-13)11-23-6-8-24(9-7-23)15-4-5-16-18(10-15)20-12-22(3)19(16)25/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyPOLXQIRGXDFBRX-UHFFFAOYSA-N
XLogP1.86
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one with MolForge

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Related Compounds

7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126898652
3-methyl-7-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126896916
3-methyl-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126897077
3-methyl-7-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126896977
3-methyl-7-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126896972
3-methyl-7-[4-(1,2-thiazol-4-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126897067
7-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897241
7-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896970
7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896886
3-methyl-7-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]quinazolin-4-one
CID 126896954
7-[4-[(1,1-dioxothiolan-3-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one
CID 126897115
3-(2,2-difluoroethyl)-7-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126898018

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one?
The IUPAC name of 7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one (CID 126896910) is 7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one.
What is the SMILES notation for 7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one?
The canonical SMILES for 7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one is Cc1noc(C)c1CN1CCN(c2ccc3c(=O)n(C)cnc3c2)CC1.
What is the InChIKey of 7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one?
The InChIKey is POLXQIRGXDFBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-17(14(2)26-21-13)11-23-6-8-24(9-7-23)15-4-5-16-18(10-15)20-12-22(3)19(16)25/h4-5,10,12H,6-9,11H2,1-3H3.
What are the key properties of 7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one?
7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one has a molecular weight of 353.43 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 7 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-methylquinazolin-4-one is sourced from PubChem (CID 126896910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).