(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone

C16H22N4O2 — CID 124978958

IUPAC(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1CCC[C@H](Cc2ccn[nH]2)C1
InChIInChI=1S/C16H22N4O2/c1-3-14-15(11(2)22-19-14)16(21)20-8-4-5-12(10-20)9-13-6-7-17-18-13/h6-7,12H,3-5,8-10H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyLXQZHRYPJKBRGO-GFCCVEGCSA-N
MW302.38 g/mol
LogP2.36
Rot. Bonds4

About (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone (PubChem CID 124978958) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
PubChem CID124978958
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1CCC[C@H](Cc2ccn[nH]2)C1
InChIInChI=1S/C16H22N4O2/c1-3-14-15(11(2)22-19-14)16(21)20-8-4-5-12(10-20)9-13-6-7-17-18-13/h6-7,12H,3-5,8-10H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyLXQZHRYPJKBRGO-GFCCVEGCSA-N
XLogP2.36
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 124998266
(2-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 125001802
(1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 125013112
(4-fluorophenyl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110106358
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 24791035
2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125024753
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124987262
(2,3-dimethyl-1H-indol-5-yl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110106506
[(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 92633386
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115775260
2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 124940852
2-pyrazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 124968736

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone (CID 124978958) is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone is CCc1noc(C)c1C(=O)N1CCC[C@H](Cc2ccn[nH]2)C1.
What is the InChIKey of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is LXQZHRYPJKBRGO-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-3-14-15(11(2)22-19-14)16(21)20-8-4-5-12(10-20)9-13-6-7-17-18-13/h6-7,12H,3-5,8-10H2,1-2H3,(H,17,18)/t12-/m1/s1.
What are the key properties of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone?
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 302.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 124978958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).