(3-pentan-3-yl-1,2-oxazol-5-yl)-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

C16H23N5O2 — CID 95776593

IUPAC(3-pentan-3-yl-1,2-oxazol-5-yl)-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
SMILESCCC(CC)c1cc(C(=O)N2CCC[C@H](n3cncn3)C2)on1
InChIInChI=1S/C16H23N5O2/c1-3-12(4-2)14-8-15(23-19-14)16(22)20-7-5-6-13(9-20)21-11-17-10-18-21/h8,10-13H,3-7,9H2,1-2H3/t13-/m0/s1
InChIKeyWDIFGNZCZKOFIR-ZDUSSCGKSA-N
MW317.39 g/mol
LogP2.65
Rot. Bonds5

About (3-pentan-3-yl-1,2-oxazol-5-yl)-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

(3-pentan-3-yl-1,2-oxazol-5-yl)-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone (PubChem CID 95776593) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (3-pentan-3-yl-1,2-oxazol-5-yl)-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-pentan-3-yl-1,2-oxazol-5-yl)-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
PubChem CID95776593
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name(3-pentan-3-yl-1,2-oxazol-5-yl)-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
SMILESCCC(CC)c1cc(C(=O)N2CCC[C@H](n3cncn3)C2)on1
InChIInChI=1S/C16H23N5O2/c1-3-12(4-2)14-8-15(23-19-14)16(22)20-7-5-6-13(9-20)21-11-17-10-18-21/h8,10-13H,3-7,9H2,1-2H3/t13-/m0/s1
InChIKeyWDIFGNZCZKOFIR-ZDUSSCGKSA-N
XLogP2.65
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-pentan-3-yl-1,2-oxazol-5-yl)-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-1-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119479616
(2,5-dimethylthiophen-3-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 86768302
[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124574903
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 95736420
[3-(1-aminoethyl)piperidin-1-yl]-(3-butan-2-yl-1,2-oxazol-5-yl)methanone
CID 154759823
(3S)-N-(2,5-diethylphenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124721744
(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
2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95736385
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone
CID 120803741
[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone
CID 95736616
[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95776392
1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 119167740

Frequently Asked Questions

What is the IUPAC name of (3-pentan-3-yl-1,2-oxazol-5-yl)-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-pentan-3-yl-1,2-oxazol-5-yl)-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone (CID 95776593) is (3-pentan-3-yl-1,2-oxazol-5-yl)-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-pentan-3-yl-1,2-oxazol-5-yl)-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-pentan-3-yl-1,2-oxazol-5-yl)-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone is CCC(CC)c1cc(C(=O)N2CCC[C@H](n3cncn3)C2)on1.
What is the InChIKey of (3-pentan-3-yl-1,2-oxazol-5-yl)-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is WDIFGNZCZKOFIR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-3-12(4-2)14-8-15(23-19-14)16(22)20-7-5-6-13(9-20)21-11-17-10-18-21/h8,10-13H,3-7,9H2,1-2H3/t13-/m0/s1.
What are the key properties of (3-pentan-3-yl-1,2-oxazol-5-yl)-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
(3-pentan-3-yl-1,2-oxazol-5-yl)-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 317.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pentan-3-yl-1,2-oxazol-5-yl)-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95776593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).