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

C22H22N4O2 — CID 10429498

IUPAC1-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
SMILESO=c1oc2ncccc2n1CCN1CCN(c2cccc3ccccc23)CC1
InChIInChI=1S/C22H22N4O2/c27-22-26(20-9-4-10-23-21(20)28-22)16-13-24-11-14-25(15-12-24)19-8-3-6-17-5-1-2-7-18(17)19/h1-10H,11-16H2
InChIKeyHDBDWCYTLHQPHE-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.96
Rot. Bonds4

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

1-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one (PubChem CID 10429498) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
PubChem CID10429498
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name1-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
SMILESO=c1oc2ncccc2n1CCN1CCN(c2cccc3ccccc23)CC1
InChIInChI=1S/C22H22N4O2/c27-22-26(20-9-4-10-23-21(20)28-22)16-13-24-11-14-25(15-12-24)19-8-3-6-17-5-1-2-7-18(17)19/h1-10H,11-16H2
InChIKeyHDBDWCYTLHQPHE-UHFFFAOYSA-N
XLogP2.96
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one?
The IUPAC name of 1-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one (CID 10429498) is 1-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 1-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 1-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one is O=c1oc2ncccc2n1CCN1CCN(c2cccc3ccccc23)CC1.
What is the InChIKey of 1-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one?
The InChIKey is HDBDWCYTLHQPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-22-26(20-9-4-10-23-21(20)28-22)16-13-24-11-14-25(15-12-24)19-8-3-6-17-5-1-2-7-18(17)19/h1-10H,11-16H2.
What are the key properties of 1-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one?
1-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one has a molecular weight of 374.44 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 10429498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).