(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

C15H20N4O2 — CID 95845478

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cn[nH]c1[C@H]1CCCN(C(=O)c2c(C)noc2C)C1
InChIInChI=1S/C15H20N4O2/c1-9-7-16-17-14(9)12-5-4-6-19(8-12)15(20)13-10(2)18-21-11(13)3/h7,12H,4-6,8H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyQGEINODPGAIBON-LBPRGKRZSA-N
MW288.35 g/mol
LogP2.34
Rot. Bonds2

About (3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 95845478) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID95845478
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cn[nH]c1[C@H]1CCCN(C(=O)c2c(C)noc2C)C1
InChIInChI=1S/C15H20N4O2/c1-9-7-16-17-14(9)12-5-4-6-19(8-12)15(20)13-10(2)18-21-11(13)3/h7,12H,4-6,8H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyQGEINODPGAIBON-LBPRGKRZSA-N
XLogP2.34
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110270937
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 70722084
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 71926893
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110270945
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734524
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CID 110104637
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone
CID 90608578
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97189613
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 124998266
(1-ethylpyrazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124980360
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95225246

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 95845478) is (3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is Cc1cn[nH]c1[C@H]1CCCN(C(=O)c2c(C)noc2C)C1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is QGEINODPGAIBON-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-9-7-16-17-14(9)12-5-4-6-19(8-12)15(20)13-10(2)18-21-11(13)3/h7,12H,4-6,8H2,1-3H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 288.35 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95845478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).