1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one

C13H14N4O3 — CID 62046071

IUPAC1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one
SMILESCc1noc2ncc(C(=O)N3CCNC(=O)CC3)cc12
InChIInChI=1S/C13H14N4O3/c1-8-10-6-9(7-15-12(10)20-16-8)13(19)17-4-2-11(18)14-3-5-17/h6-7H,2-5H2,1H3,(H,14,18)
InChIKeyIIEPRYFVVJGBGX-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.49
Rot. Bonds1

About 1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one

1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one (PubChem CID 62046071) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one
PubChem CID62046071
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one
SMILESCc1noc2ncc(C(=O)N3CCNC(=O)CC3)cc12
InChIInChI=1S/C13H14N4O3/c1-8-10-6-9(7-15-12(10)20-16-8)13(19)17-4-2-11(18)14-3-5-17/h6-7H,2-5H2,1H3,(H,14,18)
InChIKeyIIEPRYFVVJGBGX-UHFFFAOYSA-N
XLogP0.49
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one 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 1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one?
The IUPAC name of 1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one (CID 62046071) is 1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one.
What is the SMILES notation for 1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one?
The canonical SMILES for 1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one is Cc1noc2ncc(C(=O)N3CCNC(=O)CC3)cc12.
What is the InChIKey of 1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one?
The InChIKey is IIEPRYFVVJGBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-8-10-6-9(7-15-12(10)20-16-8)13(19)17-4-2-11(18)14-3-5-17/h6-7H,2-5H2,1H3,(H,14,18).
What are the key properties of 1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one?
1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one has a molecular weight of 274.28 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one is sourced from PubChem (CID 62046071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).