N-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide

C15H15N3O4 — CID 157017895

IUPACN-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESO=C1CC(C(=O)Nc2noc3ncccc23)C2(CCCC2)O1
InChIInChI=1S/C15H15N3O4/c19-11-8-10(15(21-11)5-1-2-6-15)13(20)17-12-9-4-3-7-16-14(9)22-18-12/h3-4,7,10H,1-2,5-6,8H2,(H,17,18,20)
InChIKeyZSADJUDCNBHALB-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.04
Rot. Bonds2

About N-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide

N-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide (PubChem CID 157017895) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is N-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide.

Molecular Properties

Compound NameN-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
PubChem CID157017895
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC NameN-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESO=C1CC(C(=O)Nc2noc3ncccc23)C2(CCCC2)O1
InChIInChI=1S/C15H15N3O4/c19-11-8-10(15(21-11)5-1-2-6-15)13(20)17-12-9-4-3-7-16-14(9)22-18-12/h3-4,7,10H,1-2,5-6,8H2,(H,17,18,20)
InChIKeyZSADJUDCNBHALB-UHFFFAOYSA-N
XLogP2.04
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The IUPAC name of N-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide (CID 157017895) is N-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide.
What is the SMILES notation for N-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The canonical SMILES for N-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide is O=C1CC(C(=O)Nc2noc3ncccc23)C2(CCCC2)O1.
What is the InChIKey of N-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The InChIKey is ZSADJUDCNBHALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c19-11-8-10(15(21-11)5-1-2-6-15)13(20)17-12-9-4-3-7-16-14(9)22-18-12/h3-4,7,10H,1-2,5-6,8H2,(H,17,18,20).
What are the key properties of N-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
N-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide has a molecular weight of 301.30 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide is sourced from PubChem (CID 157017895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).