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

C17H19N5O2 — CID 126896977

IUPAC3-methyl-7-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]quinazolin-4-one
SMILESCn1cnc2cc(N3CCN(Cc4ncco4)CC3)ccc2c1=O
InChIInChI=1S/C17H19N5O2/c1-20-12-19-15-10-13(2-3-14(15)17(20)23)22-7-5-21(6-8-22)11-16-18-4-9-24-16/h2-4,9-10,12H,5-8,11H2,1H3
InChIKeyRFDMDTCAFXUAMY-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.24
Rot. Bonds3

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

3-methyl-7-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]quinazolin-4-one (PubChem CID 126896977) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-methyl-7-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-7-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]quinazolin-4-one
PubChem CID126896977
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name3-methyl-7-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]quinazolin-4-one
SMILESCn1cnc2cc(N3CCN(Cc4ncco4)CC3)ccc2c1=O
InChIInChI=1S/C17H19N5O2/c1-20-12-19-15-10-13(2-3-14(15)17(20)23)22-7-5-21(6-8-22)11-16-18-4-9-24-16/h2-4,9-10,12H,5-8,11H2,1H3
InChIKeyRFDMDTCAFXUAMY-UHFFFAOYSA-N
XLogP1.24
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-7-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126896972
7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896910
3-methyl-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126897077
3-methyl-7-[4-(1,2-thiazol-4-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126897067
3-methyl-7-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126896916
7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896886
7-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896880
3-methyl-7-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-one
CID 126897138
3-methyl-7-[4-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126897212
3-propan-2-yl-7-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126897487
7-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896970
7-[4-[(4-methyl-5-oxopyrazin-2-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897425

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]quinazolin-4-one?
The IUPAC name of 3-methyl-7-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]quinazolin-4-one (CID 126896977) is 3-methyl-7-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]quinazolin-4-one.
What is the SMILES notation for 3-methyl-7-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]quinazolin-4-one?
The canonical SMILES for 3-methyl-7-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]quinazolin-4-one is Cn1cnc2cc(N3CCN(Cc4ncco4)CC3)ccc2c1=O.
What is the InChIKey of 3-methyl-7-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]quinazolin-4-one?
The InChIKey is RFDMDTCAFXUAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-20-12-19-15-10-13(2-3-14(15)17(20)23)22-7-5-21(6-8-22)11-16-18-4-9-24-16/h2-4,9-10,12H,5-8,11H2,1H3.
What are the key properties of 3-methyl-7-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]quinazolin-4-one?
3-methyl-7-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]quinazolin-4-one has a molecular weight of 325.37 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]quinazolin-4-one is sourced from PubChem (CID 126896977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).