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

C13H18N4O2 — CID 3072033

IUPAC3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCN1CCN(CCn2c(=O)oc3cccnc32)CC1
InChIInChI=1S/C13H18N4O2/c1-15-5-7-16(8-6-15)9-10-17-12-11(19-13(17)18)3-2-4-14-12/h2-4H,5-10H2,1H3
InChIKeyKGHUULOEVIKOJK-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.24
Rot. Bonds3

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

3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 3072033) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID3072033
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCN1CCN(CCn2c(=O)oc3cccnc32)CC1
InChIInChI=1S/C13H18N4O2/c1-15-5-7-16(8-6-15)9-10-17-12-11(19-13(17)18)3-2-4-14-12/h2-4H,5-10H2,1H3
InChIKeyKGHUULOEVIKOJK-UHFFFAOYSA-N
XLogP0.24
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 3072033) is 3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is CN1CCN(CCn2c(=O)oc3cccnc32)CC1.
What is the InChIKey of 3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is KGHUULOEVIKOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-15-5-7-16(8-6-15)9-10-17-12-11(19-13(17)18)3-2-4-14-12/h2-4H,5-10H2,1H3.
What are the key properties of 3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 262.31 g/mol, XLogP of 0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 3072033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).