(2-methyl-1,3-oxazol-4-yl)-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methanone

C22H23N3O2 — CID 95810788

IUPAC(2-methyl-1,3-oxazol-4-yl)-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4coc(C)n4)C3)n2)c1
InChIInChI=1S/C22H23N3O2/c1-15-6-3-7-17(12-15)19-9-4-10-20(24-19)18-8-5-11-25(13-18)22(26)21-14-27-16(2)23-21/h3-4,6-7,9-10,12,14,18H,5,8,11,13H2,1-2H3/t18-/m1/s1
InChIKeyDKXRPALCRGEKAM-GOSISDBHSA-N
MW361.45 g/mol
LogP4.37
Rot. Bonds3

About (2-methyl-1,3-oxazol-4-yl)-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methanone

(2-methyl-1,3-oxazol-4-yl)-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 95810788) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (2-methyl-1,3-oxazol-4-yl)-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1,3-oxazol-4-yl)-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID95810788
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(2-methyl-1,3-oxazol-4-yl)-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4coc(C)n4)C3)n2)c1
InChIInChI=1S/C22H23N3O2/c1-15-6-3-7-17(12-15)19-9-4-10-20(24-19)18-8-5-11-25(13-18)22(26)21-14-27-16(2)23-21/h3-4,6-7,9-10,12,14,18H,5,8,11,13H2,1-2H3/t18-/m1/s1
InChIKeyDKXRPALCRGEKAM-GOSISDBHSA-N
XLogP4.37
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-methyl-1,3-oxazol-4-yl)-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808945
[(3R)-3-[6-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95819758
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 124943104
[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 110149950
[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone
CID 132767471
2-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95809060
1-[(3S)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95809803
[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 110149301
[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 110256743
(2-methyl-1-benzofuran-5-yl)-[3-(6-phenyl-2-pyridinyl)piperidin-1-yl]methanone
CID 110089978
N-[3-[6-(1-benzoylpiperidin-3-yl)-2-pyridinyl]phenyl]acetamide
CID 110249286
[(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95809539

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-oxazol-4-yl)-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of (2-methyl-1,3-oxazol-4-yl)-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methanone (CID 95810788) is (2-methyl-1,3-oxazol-4-yl)-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-1,3-oxazol-4-yl)-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-methyl-1,3-oxazol-4-yl)-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methanone is Cc1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4coc(C)n4)C3)n2)c1.
What is the InChIKey of (2-methyl-1,3-oxazol-4-yl)-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is DKXRPALCRGEKAM-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-6-3-7-17(12-15)19-9-4-10-20(24-19)18-8-5-11-25(13-18)22(26)21-14-27-16(2)23-21/h3-4,6-7,9-10,12,14,18H,5,8,11,13H2,1-2H3/t18-/m1/s1.
What are the key properties of (2-methyl-1,3-oxazol-4-yl)-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methanone?
(2-methyl-1,3-oxazol-4-yl)-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 361.45 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-oxazol-4-yl)-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 95810788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).