ethane;7-methyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one

C9H12N2O2 — CID 143569330

IUPACethane;7-methyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCC.Cc1ccnc2[nH]c(=O)oc12
InChIInChI=1S/C7H6N2O2.C2H6/c1-4-2-3-8-6-5(4)11-7(10)9-6;1-2/h2-3H,1H3,(H,8,9,10);1-2H3
InChIKeyPLEMOIBFAVDHKO-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.85
Rot. Bonds

About ethane;7-methyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one

ethane;7-methyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 143569330) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is ethane;7-methyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Nameethane;7-methyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID143569330
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Nameethane;7-methyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCC.Cc1ccnc2[nH]c(=O)oc12
InChIInChI=1S/C7H6N2O2.C2H6/c1-4-2-3-8-6-5(4)11-7(10)9-6;1-2/h2-3H,1H3,(H,8,9,10);1-2H3
InChIKeyPLEMOIBFAVDHKO-UHFFFAOYSA-N
XLogP1.85
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of ethane;7-methyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 143569330) is ethane;7-methyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for ethane;7-methyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for ethane;7-methyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one is CC.Cc1ccnc2[nH]c(=O)oc12.
What is the InChIKey of ethane;7-methyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is PLEMOIBFAVDHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2.C2H6/c1-4-2-3-8-6-5(4)11-7(10)9-6;1-2/h2-3H,1H3,(H,8,9,10);1-2H3.
What are the key properties of ethane;7-methyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
ethane;7-methyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 180.21 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 143569330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).