[(1R,2R)-2-methoxycyclohexyl] 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate

C15H18N2O4 — CID 94797214

IUPAC[(1R,2R)-2-methoxycyclohexyl] 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
SMILESCO[C@@H]1CCCC[C@H]1OC(=O)c1cnc2onc(C)c2c1
InChIInChI=1S/C15H18N2O4/c1-9-11-7-10(8-16-14(11)21-17-9)15(18)20-13-6-4-3-5-12(13)19-2/h7-8,12-13H,3-6H2,1-2H3/t12-,13-/m1/s1
InChIKeyPXRDHOWRZLJIHH-CHWSQXEVSA-N
MW290.32 g/mol
LogP2.65
Rot. Bonds3

About [(1R,2R)-2-methoxycyclohexyl] 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate

[(1R,2R)-2-methoxycyclohexyl] 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 94797214) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is [(1R,2R)-2-methoxycyclohexyl] 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Name[(1R,2R)-2-methoxycyclohexyl] 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
PubChem CID94797214
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name[(1R,2R)-2-methoxycyclohexyl] 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
SMILESCO[C@@H]1CCCC[C@H]1OC(=O)c1cnc2onc(C)c2c1
InChIInChI=1S/C15H18N2O4/c1-9-11-7-10(8-16-14(11)21-17-9)15(18)20-13-6-4-3-5-12(13)19-2/h7-8,12-13H,3-6H2,1-2H3/t12-,13-/m1/s1
InChIKeyPXRDHOWRZLJIHH-CHWSQXEVSA-N
XLogP2.65
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-methoxycyclohexyl] 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of [(1R,2R)-2-methoxycyclohexyl] 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate (CID 94797214) is [(1R,2R)-2-methoxycyclohexyl] 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for [(1R,2R)-2-methoxycyclohexyl] 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for [(1R,2R)-2-methoxycyclohexyl] 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate is CO[C@@H]1CCCC[C@H]1OC(=O)c1cnc2onc(C)c2c1.
What is the InChIKey of [(1R,2R)-2-methoxycyclohexyl] 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is PXRDHOWRZLJIHH-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9-11-7-10(8-16-14(11)21-17-9)15(18)20-13-6-4-3-5-12(13)19-2/h7-8,12-13H,3-6H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of [(1R,2R)-2-methoxycyclohexyl] 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?
[(1R,2R)-2-methoxycyclohexyl] 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-methoxycyclohexyl] 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 94797214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).