(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one

C15H21N5O2 — CID 95761478

IUPAC(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
SMILESCc1noc(C)c1[C@H](C)C(=O)N1CCC[C@H](n2cncn2)C1
InChIInChI=1S/C15H21N5O2/c1-10(14-11(2)18-22-12(14)3)15(21)19-6-4-5-13(7-19)20-9-16-8-17-20/h8-10,13H,4-7H2,1-3H3/t10-,13-/m0/s1
InChIKeyVVNMTPOUNIIPKD-GWCFXTLKSA-N
MW303.37 g/mol
LogP1.85
Rot. Bonds3

About (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one

(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one (PubChem CID 95761478) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
PubChem CID95761478
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
SMILESCc1noc(C)c1[C@H](C)C(=O)N1CCC[C@H](n2cncn2)C1
InChIInChI=1S/C15H21N5O2/c1-10(14-11(2)18-22-12(14)3)15(21)19-6-4-5-13(7-19)20-9-16-8-17-20/h8-10,13H,4-7H2,1-3H3/t10-,13-/m0/s1
InChIKeyVVNMTPOUNIIPKD-GWCFXTLKSA-N
XLogP1.85
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 95737246
(3R)-1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 124690967
2-amino-2-(4-methylphenyl)-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone;hydrochloride
CID 120668316
(2S)-2-methyl-3-thiophen-2-yl-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 95776589
(3R)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 124588249
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95767968
(3-pentan-3-yl-1,2-oxazol-5-yl)-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95776593
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 95736420
(2,5-dimethylthiophen-3-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 86768302
2-phenyl-2-pyrrolidin-1-yl-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 71878582
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 95736411
[(2R)-1-propan-2-ylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100869089

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one (CID 95761478) is (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one is Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@H](n2cncn2)C1.
What is the InChIKey of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one?
The InChIKey is VVNMTPOUNIIPKD-GWCFXTLKSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-10(14-11(2)18-22-12(14)3)15(21)19-6-4-5-13(7-19)20-9-16-8-17-20/h8-10,13H,4-7H2,1-3H3/t10-,13-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one?
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one has a molecular weight of 303.37 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95761478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).