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

C18H28N4O2 — CID 67898464

IUPAC3-[3-(4-pentylpiperazin-1-yl)propyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCCCCCN1CCN(CCCn2c(=O)oc3cccnc32)CC1
InChIInChI=1S/C18H28N4O2/c1-2-3-4-9-20-12-14-21(15-13-20)10-6-11-22-17-16(24-18(22)23)7-5-8-19-17/h5,7-8H,2-4,6,9-15H2,1H3
InChIKeyTUHXQVFXZVUHBT-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.19
Rot. Bonds8

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

3-[3-(4-pentylpiperazin-1-yl)propyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 67898464) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-[3-(4-pentylpiperazin-1-yl)propyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[3-(4-pentylpiperazin-1-yl)propyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID67898464
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name3-[3-(4-pentylpiperazin-1-yl)propyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCCCCCN1CCN(CCCn2c(=O)oc3cccnc32)CC1
InChIInChI=1S/C18H28N4O2/c1-2-3-4-9-20-12-14-21(15-13-20)10-6-11-22-17-16(24-18(22)23)7-5-8-19-17/h5,7-8H,2-4,6,9-15H2,1H3
InChIKeyTUHXQVFXZVUHBT-UHFFFAOYSA-N
XLogP2.19
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-morpholin-4-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 3072034
5-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)pentanamide
CID 66921889
3-pent-4-ynyl-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 115872228
3-[2-(4-phenylpiperidin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 15745413
3-[2-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 119043241
3-[3-(4-methylphenyl)sulfonylpropyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 75442440
3-[5-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]piperazin-1-yl]pentyl]-1,3-benzoxazol-2-one
CID 58511876
3-(pyridin-2-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 75509161
1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 10084115
3-amino-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 123413936
3-[[(2S)-pyrrolidin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 102819817
3-[[4-(hydroxymethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 110006022

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-pentylpiperazin-1-yl)propyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[3-(4-pentylpiperazin-1-yl)propyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 67898464) is 3-[3-(4-pentylpiperazin-1-yl)propyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[3-(4-pentylpiperazin-1-yl)propyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[3-(4-pentylpiperazin-1-yl)propyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is CCCCCN1CCN(CCCn2c(=O)oc3cccnc32)CC1.
What is the InChIKey of 3-[3-(4-pentylpiperazin-1-yl)propyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is TUHXQVFXZVUHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-2-3-4-9-20-12-14-21(15-13-20)10-6-11-22-17-16(24-18(22)23)7-5-8-19-17/h5,7-8H,2-4,6,9-15H2,1H3.
What are the key properties of 3-[3-(4-pentylpiperazin-1-yl)propyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-[3-(4-pentylpiperazin-1-yl)propyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 332.45 g/mol, XLogP of 2.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-pentylpiperazin-1-yl)propyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 67898464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).