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

C17H18N4O2 — CID 3077454

IUPAC3-[(4-phenylpiperazin-1-yl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cccnc2n1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H18N4O2/c22-17-21(16-15(23-17)7-4-8-18-16)13-19-9-11-20(12-10-19)14-5-2-1-3-6-14/h1-8H,9-13H2
InChIKeyUJOCRAPCZVNLCW-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.77
Rot. Bonds3

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

3-[(4-phenylpiperazin-1-yl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 3077454) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-[(4-phenylpiperazin-1-yl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[(4-phenylpiperazin-1-yl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID3077454
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name3-[(4-phenylpiperazin-1-yl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cccnc2n1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H18N4O2/c22-17-21(16-15(23-17)7-4-8-18-16)13-19-9-11-20(12-10-19)14-5-2-1-3-6-14/h1-8H,9-13H2
InChIKeyUJOCRAPCZVNLCW-UHFFFAOYSA-N
XLogP1.77
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenylpiperazin-1-yl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[(4-phenylpiperazin-1-yl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 3077454) is 3-[(4-phenylpiperazin-1-yl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[(4-phenylpiperazin-1-yl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[(4-phenylpiperazin-1-yl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is O=c1oc2cccnc2n1CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-[(4-phenylpiperazin-1-yl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is UJOCRAPCZVNLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-17-21(16-15(23-17)7-4-8-18-16)13-19-9-11-20(12-10-19)14-5-2-1-3-6-14/h1-8H,9-13H2.
What are the key properties of 3-[(4-phenylpiperazin-1-yl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-[(4-phenylpiperazin-1-yl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 310.36 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenylpiperazin-1-yl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 3077454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).