[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone

C19H27N3O3 — CID 75395427

IUPAC[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
SMILESCCC1(CO)CCN(C(=O)c2cc(C(C)C)nc3onc(C)c23)CC1
InChIInChI=1S/C19H27N3O3/c1-5-19(11-23)6-8-22(9-7-19)18(24)14-10-15(12(2)3)20-17-16(14)13(4)21-25-17/h10,12,23H,5-9,11H2,1-4H3
InChIKeyLOYMVDKWSBBUBU-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.28
Rot. Bonds4

About [4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone

[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone (PubChem CID 75395427) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is [4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Name[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
PubChem CID75395427
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
SMILESCCC1(CO)CCN(C(=O)c2cc(C(C)C)nc3onc(C)c23)CC1
InChIInChI=1S/C19H27N3O3/c1-5-19(11-23)6-8-22(9-7-19)18(24)14-10-15(12(2)3)20-17-16(14)13(4)21-25-17/h10,12,23H,5-9,11H2,1-4H3
InChIKeyLOYMVDKWSBBUBU-UHFFFAOYSA-N
XLogP3.28
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
The IUPAC name of [4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone (CID 75395427) is [4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone.
What is the SMILES notation for [4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
The canonical SMILES for [4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone is CCC1(CO)CCN(C(=O)c2cc(C(C)C)nc3onc(C)c23)CC1.
What is the InChIKey of [4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
The InChIKey is LOYMVDKWSBBUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-5-19(11-23)6-8-22(9-7-19)18(24)14-10-15(12(2)3)20-17-16(14)13(4)21-25-17/h10,12,23H,5-9,11H2,1-4H3.
What are the key properties of [4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone has a molecular weight of 345.44 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone is sourced from PubChem (CID 75395427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).