(5-methyl-1,2-oxazol-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

C14H18N4O2 — CID 95602579

IUPAC(5-methyl-1,2-oxazol-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC[C@@H]2Cn2cccn2)no1
InChIInChI=1S/C14H18N4O2/c1-11-9-13(16-20-11)14(19)18-8-3-2-5-12(18)10-17-7-4-6-15-17/h4,6-7,9,12H,2-3,5,8,10H2,1H3/t12-/m1/s1
InChIKeyBBEIJUJXRYWAMZ-GFCCVEGCSA-N
MW274.32 g/mol
LogP1.87
Rot. Bonds3

About (5-methyl-1,2-oxazol-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

(5-methyl-1,2-oxazol-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 95602579) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID95602579
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name(5-methyl-1,2-oxazol-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC[C@@H]2Cn2cccn2)no1
InChIInChI=1S/C14H18N4O2/c1-11-9-13(16-20-11)14(19)18-8-3-2-5-12(18)10-17-7-4-6-15-17/h4,6-7,9,12H,2-3,5,8,10H2,1H3/t12-/m1/s1
InChIKeyBBEIJUJXRYWAMZ-GFCCVEGCSA-N
XLogP1.87
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 56778956
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 95602905
(2-methylfuran-3-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95345998
[2-(2-chloropropyl)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 112748514
[2-(2-hydroxypropyl)azepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 79560105
[2-(aminomethyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride
CID 119633410
(4-chloro-1H-pyrrol-2-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95602653
(4-bromo-1H-pyrrol-2-yl)-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 56778866
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95342323
imidazo[1,2-a]pyridin-2-yl-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95602635
1-methyl-4-[(2R)-2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-2-one
CID 95602712
2-methyl-6-[(2R)-2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 95347326

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (CID 95602579) is (5-methyl-1,2-oxazol-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCCC[C@@H]2Cn2cccn2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is BBEIJUJXRYWAMZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11-9-13(16-20-11)14(19)18-8-3-2-5-12(18)10-17-7-4-6-15-17/h4,6-7,9,12H,2-3,5,8,10H2,1H3/t12-/m1/s1.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
(5-methyl-1,2-oxazol-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 274.32 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 95602579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).