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

C18H19ClN4O2 — CID 3077458

IUPAC3-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cccnc2n1CCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H19ClN4O2/c19-14-3-5-15(6-4-14)22-11-8-21(9-12-22)10-13-23-17-16(25-18(23)24)2-1-7-20-17/h1-7H,8-13H2
InChIKeyVOXUJOBWWGXKMJ-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.47
Rot. Bonds4

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

3-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 3077458) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 3-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID3077458
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name3-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cccnc2n1CCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H19ClN4O2/c19-14-3-5-15(6-4-14)22-11-8-21(9-12-22)10-13-23-17-16(25-18(23)24)2-1-7-20-17/h1-7H,8-13H2
InChIKeyVOXUJOBWWGXKMJ-UHFFFAOYSA-N
XLogP2.47
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 3077458) is 3-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is O=c1oc2cccnc2n1CCN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is VOXUJOBWWGXKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c19-14-3-5-15(6-4-14)22-11-8-21(9-12-22)10-13-23-17-16(25-18(23)24)2-1-7-20-17/h1-7H,8-13H2.
What are the key properties of 3-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 358.83 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 3077458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).