6-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

C18H23N3O5 — CID 171922181

IUPAC6-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2c(C3CCN(C(=O)OC(C)(C)C)CC3)noc2n1
InChIInChI=1S/C18H23N3O5/c1-10-9-12(16(22)23)13-14(20-26-15(13)19-10)11-5-7-21(8-6-11)17(24)25-18(2,3)4/h9,11H,5-8H2,1-4H3,(H,22,23)
InChIKeyWDZAMSYLPUXZTO-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.34
Rot. Bonds2

About 6-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

6-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 171922181) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is 6-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID171922181
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Name6-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2c(C3CCN(C(=O)OC(C)(C)C)CC3)noc2n1
InChIInChI=1S/C18H23N3O5/c1-10-9-12(16(22)23)13-14(20-26-15(13)19-10)11-5-7-21(8-6-11)17(24)25-18(2,3)4/h9,11H,5-8H2,1-4H3,(H,22,23)
InChIKeyWDZAMSYLPUXZTO-UHFFFAOYSA-N
XLogP3.34
TPSA105.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid (CID 171922181) is 6-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid is Cc1cc(C(=O)O)c2c(C3CCN(C(=O)OC(C)(C)C)CC3)noc2n1.
What is the InChIKey of 6-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is WDZAMSYLPUXZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-10-9-12(16(22)23)13-14(20-26-15(13)19-10)11-5-7-21(8-6-11)17(24)25-18(2,3)4/h9,11H,5-8H2,1-4H3,(H,22,23).
What are the key properties of 6-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
6-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 361.40 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 171922181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).