5,6-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-7-one

C6H6N2O2 — CID 54491729

IUPAC5,6-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-7-one
SMILESO=C1NCCc2cnoc21
InChIInChI=1S/C6H6N2O2/c9-6-5-4(1-2-7-6)3-8-10-5/h3H,1-2H2,(H,7,9)
InChIKeyXWEYLWISFPUGCC-UHFFFAOYSA-N
MW138.13 g/mol
LogP-0.04
Rot. Bonds

About 5,6-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-7-one

5,6-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-7-one (PubChem CID 54491729) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 5,6-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name5,6-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-7-one
PubChem CID54491729
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name5,6-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-7-one
SMILESO=C1NCCc2cnoc21
InChIInChI=1S/C6H6N2O2/c9-6-5-4(1-2-7-6)3-8-10-5/h3H,1-2H2,(H,7,9)
InChIKeyXWEYLWISFPUGCC-UHFFFAOYSA-N
XLogP-0.04
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,6,7-Tetrahydroisoxazolo[5,4-c]pyridine
CID 20581451
4H,5H,6H,7H-[1,2]oxazolo[5,4-c]pyridine hydrochloride
CID 154857197
ethane;4-methyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-5-one;propane
CID 142177745
4,6-Dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one;ethane
CID 142177769
4,6-Dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one
CID 142177770
4-tert-butyl-N-methyl-1,2-oxazole-5-carboxamide
CID 162696865
4-methyl-N-piperidin-3-yl-1,2-oxazole-5-carboxamide
CID 66334663
8-(4-Methyl-1,2-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 66334806
4-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide
CID 66334810
4-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 66334811
4-methyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide
CID 66334813
[4-(Aminomethyl)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 66334962

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-7-one?
The IUPAC name of 5,6-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-7-one (CID 54491729) is 5,6-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 5,6-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 5,6-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-7-one is O=C1NCCc2cnoc21.
What is the InChIKey of 5,6-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-7-one?
The InChIKey is XWEYLWISFPUGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c9-6-5-4(1-2-7-6)3-8-10-5/h3H,1-2H2,(H,7,9).
What are the key properties of 5,6-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-7-one?
5,6-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-7-one has a molecular weight of 138.13 g/mol, XLogP of -0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 54491729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).