[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone

C15H17N7O4 — CID 155507138

IUPAC[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone
SMILESCOCCn1nnc(C2CN(C(=O)c3onc4ncccc34)CCO2)n1
InChIInChI=1S/C15H17N7O4/c1-24-7-6-22-18-14(17-20-22)11-9-21(5-8-25-11)15(23)12-10-3-2-4-16-13(10)19-26-12/h2-4,11H,5-9H2,1H3
InChIKeyFXTGKERXMSLOHE-UHFFFAOYSA-N
MW359.35 g/mol
LogP0.07
Rot. Bonds5

About [2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone

[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone (PubChem CID 155507138) has the molecular formula C15H17N7O4 and a molecular weight of 359.35 g/mol. Its IUPAC name is [2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone
PubChem CID155507138
Molecular FormulaC15H17N7O4
Molecular Weight359.35 g/mol
Exact Mass359.13
IUPAC Name[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone
SMILESCOCCn1nnc(C2CN(C(=O)c3onc4ncccc34)CCO2)n1
InChIInChI=1S/C15H17N7O4/c1-24-7-6-22-18-14(17-20-22)11-9-21(5-8-25-11)15(23)12-10-3-2-4-16-13(10)19-26-12/h2-4,11H,5-9H2,1H3
InChIKeyFXTGKERXMSLOHE-UHFFFAOYSA-N
XLogP0.07
TPSA121.29 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone?
The IUPAC name of [2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone (CID 155507138) is [2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone.
What is the SMILES notation for [2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone?
The canonical SMILES for [2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone is COCCn1nnc(C2CN(C(=O)c3onc4ncccc34)CCO2)n1.
What is the InChIKey of [2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone?
The InChIKey is FXTGKERXMSLOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O4/c1-24-7-6-22-18-14(17-20-22)11-9-21(5-8-25-11)15(23)12-10-3-2-4-16-13(10)19-26-12/h2-4,11H,5-9H2,1H3.
What are the key properties of [2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone?
[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone has a molecular weight of 359.35 g/mol, XLogP of 0.07, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone is sourced from PubChem (CID 155507138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).