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

C19H22N4O3 — CID 3077456

IUPAC3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCOc1ccccc1N1CCN(CCn2c(=O)oc3cccnc32)CC1
InChIInChI=1S/C19H22N4O3/c1-25-16-6-3-2-5-15(16)22-12-9-21(10-13-22)11-14-23-18-17(26-19(23)24)7-4-8-20-18/h2-8H,9-14H2,1H3
InChIKeyGGWAZHXICFOBJX-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.82
Rot. Bonds5

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

3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 3077456) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID3077456
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCOc1ccccc1N1CCN(CCn2c(=O)oc3cccnc32)CC1
InChIInChI=1S/C19H22N4O3/c1-25-16-6-3-2-5-15(16)22-12-9-21(10-13-22)11-14-23-18-17(26-19(23)24)7-4-8-20-18/h2-8H,9-14H2,1H3
InChIKeyGGWAZHXICFOBJX-UHFFFAOYSA-N
XLogP1.82
TPSA63.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 3077456) is 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is COc1ccccc1N1CCN(CCn2c(=O)oc3cccnc32)CC1.
What is the InChIKey of 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is GGWAZHXICFOBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-25-16-6-3-2-5-15(16)22-12-9-21(10-13-22)11-14-23-18-17(26-19(23)24)7-4-8-20-18/h2-8H,9-14H2,1H3.
What are the key properties of 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 354.41 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 3077456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).