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

C14H16N4O3 — CID 63361971

IUPAC3,3-dimethyl-4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-2-one
SMILESCc1noc2ncc(C(=O)N3CCNC(=O)C3(C)C)cc12
InChIInChI=1S/C14H16N4O3/c1-8-10-6-9(7-16-11(10)21-17-8)12(19)18-5-4-15-13(20)14(18,2)3/h6-7H,4-5H2,1-3H3,(H,15,20)
InChIKeyBFDMEMMVKVBJIX-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.88
Rot. Bonds1

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

3,3-dimethyl-4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-2-one (PubChem CID 63361971) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3,3-dimethyl-4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-2-one
PubChem CID63361971
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name3,3-dimethyl-4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-2-one
SMILESCc1noc2ncc(C(=O)N3CCNC(=O)C3(C)C)cc12
InChIInChI=1S/C14H16N4O3/c1-8-10-6-9(7-16-11(10)21-17-8)12(19)18-5-4-15-13(20)14(18,2)3/h6-7H,4-5H2,1-3H3,(H,15,20)
InChIKeyBFDMEMMVKVBJIX-UHFFFAOYSA-N
XLogP0.88
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-2-one (CID 63361971) is 3,3-dimethyl-4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-2-one is Cc1noc2ncc(C(=O)N3CCNC(=O)C3(C)C)cc12.
What is the InChIKey of 3,3-dimethyl-4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-2-one?
The InChIKey is BFDMEMMVKVBJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-8-10-6-9(7-16-11(10)21-17-8)12(19)18-5-4-15-13(20)14(18,2)3/h6-7H,4-5H2,1-3H3,(H,15,20).
What are the key properties of 3,3-dimethyl-4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-2-one?
3,3-dimethyl-4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-2-one has a molecular weight of 288.31 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-2-one is sourced from PubChem (CID 63361971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).