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

C19H22N4O2 — CID 3072496

IUPAC1-[3-(4-phenylpiperazin-1-yl)propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
SMILESO=c1oc2ncccc2n1CCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22N4O2/c24-19-23(17-8-4-9-20-18(17)25-19)11-5-10-21-12-14-22(15-13-21)16-6-2-1-3-7-16/h1-4,6-9H,5,10-15H2
InChIKeySKULVSPFQNYSFX-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.20
Rot. Bonds5

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

1-[3-(4-phenylpiperazin-1-yl)propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one (PubChem CID 3072496) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[3-(4-phenylpiperazin-1-yl)propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name1-[3-(4-phenylpiperazin-1-yl)propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
PubChem CID3072496
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-[3-(4-phenylpiperazin-1-yl)propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
SMILESO=c1oc2ncccc2n1CCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22N4O2/c24-19-23(17-8-4-9-20-18(17)25-19)11-5-10-21-12-14-22(15-13-21)16-6-2-1-3-7-16/h1-4,6-9H,5,10-15H2
InChIKeySKULVSPFQNYSFX-UHFFFAOYSA-N
XLogP2.20
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-phenylpiperazin-1-yl)propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one?
The IUPAC name of 1-[3-(4-phenylpiperazin-1-yl)propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one (CID 3072496) is 1-[3-(4-phenylpiperazin-1-yl)propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 1-[3-(4-phenylpiperazin-1-yl)propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 1-[3-(4-phenylpiperazin-1-yl)propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one is O=c1oc2ncccc2n1CCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[3-(4-phenylpiperazin-1-yl)propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one?
The InChIKey is SKULVSPFQNYSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-19-23(17-8-4-9-20-18(17)25-19)11-5-10-21-12-14-22(15-13-21)16-6-2-1-3-7-16/h1-4,6-9H,5,10-15H2.
What are the key properties of 1-[3-(4-phenylpiperazin-1-yl)propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one?
1-[3-(4-phenylpiperazin-1-yl)propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one has a molecular weight of 338.41 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-phenylpiperazin-1-yl)propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 3072496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).