7-hydroxy-7-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-3,6-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidin-5-one

C18H24N4O3 — CID 10871658

IUPAC7-hydroxy-7-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-3,6-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidin-5-one
SMILESCC1(O)CC(=O)N2CC(CN3CCN(c4ccccc4)CC3)OC2=N1
InChIInChI=1S/C18H24N4O3/c1-18(24)11-16(23)22-13-15(25-17(22)19-18)12-20-7-9-21(10-8-20)14-5-3-2-4-6-14/h2-6,15,24H,7-13H2,1H3
InChIKeyNOYUFMQMSCCPAG-UHFFFAOYSA-N
MW344.41 g/mol
LogP0.50
Rot. Bonds3

About 7-hydroxy-7-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-3,6-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidin-5-one

7-hydroxy-7-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-3,6-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidin-5-one (PubChem CID 10871658) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is 7-hydroxy-7-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-3,6-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-hydroxy-7-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-3,6-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidin-5-one
PubChem CID10871658
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC Name7-hydroxy-7-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-3,6-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidin-5-one
SMILESCC1(O)CC(=O)N2CC(CN3CCN(c4ccccc4)CC3)OC2=N1
InChIInChI=1S/C18H24N4O3/c1-18(24)11-16(23)22-13-15(25-17(22)19-18)12-20-7-9-21(10-8-20)14-5-3-2-4-6-14/h2-6,15,24H,7-13H2,1H3
InChIKeyNOYUFMQMSCCPAG-UHFFFAOYSA-N
XLogP0.50
TPSA68.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-7-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-3,6-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-hydroxy-7-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-3,6-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidin-5-one (CID 10871658) is 7-hydroxy-7-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-3,6-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-hydroxy-7-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-3,6-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-hydroxy-7-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-3,6-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidin-5-one is CC1(O)CC(=O)N2CC(CN3CCN(c4ccccc4)CC3)OC2=N1.
What is the InChIKey of 7-hydroxy-7-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-3,6-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidin-5-one?
The InChIKey is NOYUFMQMSCCPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-18(24)11-16(23)22-13-15(25-17(22)19-18)12-20-7-9-21(10-8-20)14-5-3-2-4-6-14/h2-6,15,24H,7-13H2,1H3.
What are the key properties of 7-hydroxy-7-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-3,6-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidin-5-one?
7-hydroxy-7-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-3,6-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidin-5-one has a molecular weight of 344.41 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-7-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-3,6-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 10871658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).