3-[2-(4-phenylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

C18H20N4O2 — CID 3035655

IUPAC3-[2-(4-phenylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cccnc2n1CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H20N4O2/c23-18-22(17-16(24-18)7-4-8-19-17)14-11-20-9-12-21(13-10-20)15-5-2-1-3-6-15/h1-8H,9-14H2
InChIKeyKVIFRYUROZAMHI-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.81
Rot. Bonds4

About 3-[2-(4-phenylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

3-[2-(4-phenylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 3035655) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-[2-(4-phenylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[2-(4-phenylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID3035655
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name3-[2-(4-phenylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cccnc2n1CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H20N4O2/c23-18-22(17-16(24-18)7-4-8-19-17)14-11-20-9-12-21(13-10-20)15-5-2-1-3-6-15/h1-8H,9-14H2
InChIKeyKVIFRYUROZAMHI-UHFFFAOYSA-N
XLogP1.81
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-phenylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[2-(4-phenylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 3035655) is 3-[2-(4-phenylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[2-(4-phenylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[2-(4-phenylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is O=c1oc2cccnc2n1CCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-[2-(4-phenylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is KVIFRYUROZAMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-18-22(17-16(24-18)7-4-8-19-17)14-11-20-9-12-21(13-10-20)15-5-2-1-3-6-15/h1-8H,9-14H2.
What are the key properties of 3-[2-(4-phenylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-[2-(4-phenylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 324.38 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-phenylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 3035655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).