3-amino-1-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(hydroxymethyl)-2-pyridinyl]piperidin-1-yl]propan-1-one

C19H26N4O3 — CID 110135442

IUPAC3-amino-1-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(hydroxymethyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
SMILESCc1noc(C)c1-c1nc(C2CCCN(C(=O)CCN)C2)ccc1CO
InChIInChI=1S/C19H26N4O3/c1-12-18(13(2)26-22-12)19-15(11-24)5-6-16(21-19)14-4-3-9-23(10-14)17(25)7-8-20/h5-6,14,24H,3-4,7-11,20H2,1-2H3
InChIKeyDMMPCNXWJGIIMZ-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.90
Rot. Bonds5

About 3-amino-1-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(hydroxymethyl)-2-pyridinyl]piperidin-1-yl]propan-1-one

3-amino-1-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(hydroxymethyl)-2-pyridinyl]piperidin-1-yl]propan-1-one (PubChem CID 110135442) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-amino-1-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(hydroxymethyl)-2-pyridinyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(hydroxymethyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
PubChem CID110135442
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name3-amino-1-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(hydroxymethyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
SMILESCc1noc(C)c1-c1nc(C2CCCN(C(=O)CCN)C2)ccc1CO
InChIInChI=1S/C19H26N4O3/c1-12-18(13(2)26-22-12)19-15(11-24)5-6-16(21-19)14-4-3-9-23(10-14)17(25)7-8-20/h5-6,14,24H,3-4,7-11,20H2,1-2H3
InChIKeyDMMPCNXWJGIIMZ-UHFFFAOYSA-N
XLogP1.90
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-1-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(hydroxymethyl)-2-pyridinyl]piperidin-1-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-3-pyridinyl]methanol
CID 110129610
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 124982287
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one
CID 125013242
1-[(3S)-3-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 92615995
1-[(3R)-3-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 92615994
1-[(3S)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 124964238
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 110096420
3-amino-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 125024807
2-amino-1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 110129417
[(3R)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 125020232
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95845538
3-amino-1-[(2R)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 125004819

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(hydroxymethyl)-2-pyridinyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(hydroxymethyl)-2-pyridinyl]piperidin-1-yl]propan-1-one (CID 110135442) is 3-amino-1-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(hydroxymethyl)-2-pyridinyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(hydroxymethyl)-2-pyridinyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(hydroxymethyl)-2-pyridinyl]piperidin-1-yl]propan-1-one is Cc1noc(C)c1-c1nc(C2CCCN(C(=O)CCN)C2)ccc1CO.
What is the InChIKey of 3-amino-1-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(hydroxymethyl)-2-pyridinyl]piperidin-1-yl]propan-1-one?
The InChIKey is DMMPCNXWJGIIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-12-18(13(2)26-22-12)19-15(11-24)5-6-16(21-19)14-4-3-9-23(10-14)17(25)7-8-20/h5-6,14,24H,3-4,7-11,20H2,1-2H3.
What are the key properties of 3-amino-1-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(hydroxymethyl)-2-pyridinyl]piperidin-1-yl]propan-1-one?
3-amino-1-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(hydroxymethyl)-2-pyridinyl]piperidin-1-yl]propan-1-one has a molecular weight of 358.44 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(hydroxymethyl)-2-pyridinyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110135442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).