4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate

C6H7N2O2- — CID 143323722

IUPAC4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate
SMILES[O-]c1noc2c1CCNC2
InChIInChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)/p-1
InChIKeyZXRVKCBLGJOCEE-UHFFFAOYSA-M
MW139.13 g/mol
LogP-0.61
Rot. Bonds

About 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate

4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate (PubChem CID 143323722) has the molecular formula C6H7N2O2- and a molecular weight of 139.13 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate
PubChem CID143323722
Molecular FormulaC6H7N2O2-
Molecular Weight139.13 g/mol
Exact Mass139.05
IUPAC Name4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate
SMILES[O-]c1noc2c1CCNC2
InChIInChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)/p-1
InChIKeyZXRVKCBLGJOCEE-UHFFFAOYSA-M
XLogP-0.61
TPSA61.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.13
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate?
The IUPAC name of 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate (CID 143323722) is 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate.
What is the SMILES notation for 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate?
The canonical SMILES for 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate is [O-]c1noc2c1CCNC2.
What is the InChIKey of 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate?
The InChIKey is ZXRVKCBLGJOCEE-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)/p-1.
What are the key properties of 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate?
4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate has a molecular weight of 139.13 g/mol, XLogP of -0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate is sourced from PubChem (CID 143323722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).