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

C12H17N3O2 — CID 10466600

IUPAC3-[2-(diethylamino)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCCN(CC)CCn1c(=O)oc2cccnc21
InChIInChI=1S/C12H17N3O2/c1-3-14(4-2)8-9-15-11-10(17-12(15)16)6-5-7-13-11/h5-7H,3-4,8-9H2,1-2H3
InChIKeyLPWFNZZAYMIPFS-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.33
Rot. Bonds5

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

3-[2-(diethylamino)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 10466600) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID10466600
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-[2-(diethylamino)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCCN(CC)CCn1c(=O)oc2cccnc21
InChIInChI=1S/C12H17N3O2/c1-3-14(4-2)8-9-15-11-10(17-12(15)16)6-5-7-13-11/h5-7H,3-4,8-9H2,1-2H3
InChIKeyLPWFNZZAYMIPFS-UHFFFAOYSA-N
XLogP1.33
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[2-(diethylamino)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 10466600) is 3-[2-(diethylamino)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[2-(diethylamino)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[2-(diethylamino)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is CCN(CC)CCn1c(=O)oc2cccnc21.
What is the InChIKey of 3-[2-(diethylamino)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is LPWFNZZAYMIPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-14(4-2)8-9-15-11-10(17-12(15)16)6-5-7-13-11/h5-7H,3-4,8-9H2,1-2H3.
What are the key properties of 3-[2-(diethylamino)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-[2-(diethylamino)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 235.29 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 10466600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).