(6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl) 4-methylpiperidine-1-carboxylate

C14H17N3O3 — CID 69153636

IUPAC(6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl) 4-methylpiperidine-1-carboxylate
SMILESCc1ccc2c(OC(=O)N3CCC(C)CC3)noc2n1
InChIInChI=1S/C14H17N3O3/c1-9-5-7-17(8-6-9)14(18)19-13-11-4-3-10(2)15-12(11)20-16-13/h3-4,9H,5-8H2,1-2H3
InChIKeyYQECVAFDZVBUKV-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.76
Rot. Bonds1

About (6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl) 4-methylpiperidine-1-carboxylate

(6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl) 4-methylpiperidine-1-carboxylate (PubChem CID 69153636) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is (6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl) 4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Name(6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl) 4-methylpiperidine-1-carboxylate
PubChem CID69153636
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name(6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl) 4-methylpiperidine-1-carboxylate
SMILESCc1ccc2c(OC(=O)N3CCC(C)CC3)noc2n1
InChIInChI=1S/C14H17N3O3/c1-9-5-7-17(8-6-9)14(18)19-13-11-4-3-10(2)15-12(11)20-16-13/h3-4,9H,5-8H2,1-2H3
InChIKeyYQECVAFDZVBUKV-UHFFFAOYSA-N
XLogP2.76
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl) 4-methylpiperidine-1-carboxylate?
The IUPAC name of (6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl) 4-methylpiperidine-1-carboxylate (CID 69153636) is (6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl) 4-methylpiperidine-1-carboxylate.
What is the SMILES notation for (6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl) 4-methylpiperidine-1-carboxylate?
The canonical SMILES for (6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl) 4-methylpiperidine-1-carboxylate is Cc1ccc2c(OC(=O)N3CCC(C)CC3)noc2n1.
What is the InChIKey of (6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl) 4-methylpiperidine-1-carboxylate?
The InChIKey is YQECVAFDZVBUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-5-7-17(8-6-9)14(18)19-13-11-4-3-10(2)15-12(11)20-16-13/h3-4,9H,5-8H2,1-2H3.
What are the key properties of (6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl) 4-methylpiperidine-1-carboxylate?
(6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl) 4-methylpiperidine-1-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl) 4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 69153636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).