5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

C18H22N4O2 — CID 10871100

IUPAC5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESCc1cc(=O)nc2n1CC(CN1CCN(c3ccccc3)CC1)O2
InChIInChI=1S/C18H22N4O2/c1-14-11-17(23)19-18-22(14)13-16(24-18)12-20-7-9-21(10-8-20)15-5-3-2-4-6-15/h2-6,11,16H,7-10,12-13H2,1H3
InChIKeyMSMZQSSDLFWWJO-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.13
Rot. Bonds3

About 5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (PubChem CID 10871100) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
PubChem CID10871100
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESCc1cc(=O)nc2n1CC(CN1CCN(c3ccccc3)CC1)O2
InChIInChI=1S/C18H22N4O2/c1-14-11-17(23)19-18-22(14)13-16(24-18)12-20-7-9-21(10-8-20)15-5-3-2-4-6-15/h2-6,11,16H,7-10,12-13H2,1H3
InChIKeyMSMZQSSDLFWWJO-UHFFFAOYSA-N
XLogP1.13
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (CID 10871100) is 5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is Cc1cc(=O)nc2n1CC(CN1CCN(c3ccccc3)CC1)O2.
What is the InChIKey of 5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The InChIKey is MSMZQSSDLFWWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-14-11-17(23)19-18-22(14)13-16(24-18)12-20-7-9-21(10-8-20)15-5-3-2-4-6-15/h2-6,11,16H,7-10,12-13H2,1H3.
What are the key properties of 5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one has a molecular weight of 326.40 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 10871100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).