calcium;hydride;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one

C6H10CaN2O2 — CID 173118428

IUPACcalcium;hydride;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one
SMILESO=c1[nH]oc2c1CCNC2.[Ca+2].[H-].[H-]
InChIInChI=1S/C6H8N2O2.Ca.2H/c9-6-4-1-2-7-3-5(4)10-8-6;;;/h7H,1-3H2,(H,8,9);;;/q;+2;2*-1
InChIKeyMYIDSUQTYBUDDM-UHFFFAOYSA-N
MW182.24 g/mol
LogP-0.54
Rot. Bonds

About calcium;hydride;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one

calcium;hydride;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one (PubChem CID 173118428) has the molecular formula C6H10CaN2O2 and a molecular weight of 182.24 g/mol. Its IUPAC name is calcium;hydride;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one.

Molecular Properties

Compound Namecalcium;hydride;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one
PubChem CID173118428
Molecular FormulaC6H10CaN2O2
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Namecalcium;hydride;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one
SMILESO=c1[nH]oc2c1CCNC2.[Ca+2].[H-].[H-]
InChIInChI=1S/C6H8N2O2.Ca.2H/c9-6-4-1-2-7-3-5(4)10-8-6;;;/h7H,1-3H2,(H,8,9);;;/q;+2;2*-1
InChIKeyMYIDSUQTYBUDDM-UHFFFAOYSA-N
XLogP-0.54
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5,5,7-trideuterio-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one
CID 172865442
4,5,6,7-tetrahydro-[1,2]thiazolo[5,4-c]pyridin-3-one;hydrochloride
CID 122360514
4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate
CID 143323722
1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one
CID 13136922
1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one;dihydrochloride
CID 71755460
4-(methylamino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
CID 83862595
5,6,7,8-tetrahydro-2H-pyrido[3,4-d]pyridazin-1-one;hydrochloride
CID 71743924
2-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 135741595
1,4-diazepan-6-one
CID 23090352
2,3,4,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-c]pyridin-5-one
CID 67466413
N-cyclohexyl-3-oxo-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine-2-carboxamide
CID 12851775
1,4,7,8,9,10-hexahydropyrido[4,3-f]quinoxaline-2,3-dione
CID 10443331

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one?
The IUPAC name of calcium;hydride;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one (CID 173118428) is calcium;hydride;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one.
What is the SMILES notation for calcium;hydride;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one?
The canonical SMILES for calcium;hydride;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one is O=c1[nH]oc2c1CCNC2.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one?
The InChIKey is MYIDSUQTYBUDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.Ca.2H/c9-6-4-1-2-7-3-5(4)10-8-6;;;/h7H,1-3H2,(H,8,9);;;/q;+2;2*-1.
What are the key properties of calcium;hydride;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one?
calcium;hydride;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one has a molecular weight of 182.24 g/mol, XLogP of -0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one is sourced from PubChem (CID 173118428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).