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

C12H22N2O2 — CID 142177745

IUPACethane;4-methyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-5-one;propane
SMILESCC.CC1C(=O)NCc2oncc21.CCC
InChIInChI=1S/C7H8N2O2.C3H8.C2H6/c1-4-5-2-9-11-6(5)3-8-7(4)10;1-3-2;1-2/h2,4H,3H2,1H3,(H,8,10);3H2,1-2H3;1-2H3
InChIKeyLXWSHBWVEGKQHU-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.85
Rot. Bonds

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

ethane;4-methyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-5-one;propane (PubChem CID 142177745) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is ethane;4-methyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-5-one;propane.

Molecular Properties

Compound Nameethane;4-methyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-5-one;propane
PubChem CID142177745
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nameethane;4-methyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-5-one;propane
SMILESCC.CC1C(=O)NCc2oncc21.CCC
InChIInChI=1S/C7H8N2O2.C3H8.C2H6/c1-4-5-2-9-11-6(5)3-8-7(4)10;1-3-2;1-2/h2,4H,3H2,1H3,(H,8,10);3H2,1-2H3;1-2H3
InChIKeyLXWSHBWVEGKQHU-UHFFFAOYSA-N
XLogP2.85
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.85
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
5,6-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-7-one
CID 54491729
4,6-Ditert-butyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one
CID 60109463
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
tert-butyl 5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate
CID 167225462
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
5-Methyl-5-(5-methyl-1,2-oxazol-4-yl)piperazin-2-one
CID 112545729
3,3-Dimethyl-5-(5-methyl-1,2-oxazol-4-yl)piperazin-2-one
CID 129976158
3-Ethyl-5-(5-methyl-1,2-oxazol-4-yl)piperazin-2-one
CID 133652003

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-5-one;propane?
The IUPAC name of ethane;4-methyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-5-one;propane (CID 142177745) is ethane;4-methyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-5-one;propane.
What is the SMILES notation for ethane;4-methyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-5-one;propane?
The canonical SMILES for ethane;4-methyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-5-one;propane is CC.CC1C(=O)NCc2oncc21.CCC.
What is the InChIKey of ethane;4-methyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-5-one;propane?
The InChIKey is LXWSHBWVEGKQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2.C3H8.C2H6/c1-4-5-2-9-11-6(5)3-8-7(4)10;1-3-2;1-2/h2,4H,3H2,1H3,(H,8,10);3H2,1-2H3;1-2H3.
What are the key properties of ethane;4-methyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-5-one;propane?
ethane;4-methyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-5-one;propane has a molecular weight of 226.32 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-5-one;propane is sourced from PubChem (CID 142177745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).