N-[3,4-dihydroxy-4-(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-6-yl)butyl]acetamide

C12H15N3O5 — CID 171883256

IUPACN-[3,4-dihydroxy-4-(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-6-yl)butyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1cnc2[nH]c(=O)oc2c1
InChIInChI=1S/C12H15N3O5/c1-6(16)13-3-2-8(17)10(18)7-4-9-11(14-5-7)15-12(19)20-9/h4-5,8,10,17-18H,2-3H2,1H3,(H,13,16)(H,14,15,19)
InChIKeyKKWZYARUMUUBOW-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.56
Rot. Bonds5

About N-[3,4-dihydroxy-4-(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-6-yl)butyl]acetamide

N-[3,4-dihydroxy-4-(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-6-yl)butyl]acetamide (PubChem CID 171883256) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is N-[3,4-dihydroxy-4-(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-6-yl)butyl]acetamide.

Molecular Properties

Compound NameN-[3,4-dihydroxy-4-(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-6-yl)butyl]acetamide
PubChem CID171883256
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC NameN-[3,4-dihydroxy-4-(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-6-yl)butyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1cnc2[nH]c(=O)oc2c1
InChIInChI=1S/C12H15N3O5/c1-6(16)13-3-2-8(17)10(18)7-4-9-11(14-5-7)15-12(19)20-9/h4-5,8,10,17-18H,2-3H2,1H3,(H,13,16)(H,14,15,19)
InChIKeyKKWZYARUMUUBOW-UHFFFAOYSA-N
XLogP-0.56
TPSA128.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[3,4-dihydroxy-4-(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-6-yl)butyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydroxy-4-(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-6-yl)butyl]acetamide?
The IUPAC name of N-[3,4-dihydroxy-4-(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-6-yl)butyl]acetamide (CID 171883256) is N-[3,4-dihydroxy-4-(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-6-yl)butyl]acetamide.
What is the SMILES notation for N-[3,4-dihydroxy-4-(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-6-yl)butyl]acetamide?
The canonical SMILES for N-[3,4-dihydroxy-4-(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-6-yl)butyl]acetamide is CC(=O)NCCC(O)C(O)c1cnc2[nH]c(=O)oc2c1.
What is the InChIKey of N-[3,4-dihydroxy-4-(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-6-yl)butyl]acetamide?
The InChIKey is KKWZYARUMUUBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-6(16)13-3-2-8(17)10(18)7-4-9-11(14-5-7)15-12(19)20-9/h4-5,8,10,17-18H,2-3H2,1H3,(H,13,16)(H,14,15,19).
What are the key properties of N-[3,4-dihydroxy-4-(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-6-yl)butyl]acetamide?
N-[3,4-dihydroxy-4-(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-6-yl)butyl]acetamide has a molecular weight of 281.27 g/mol, XLogP of -0.56, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydroxy-4-(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-6-yl)butyl]acetamide is sourced from PubChem (CID 171883256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).