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

C20H21N3O2 — CID 124989323

IUPAC(4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
SMILESCc1ncoc1C(=O)N1CCC[C@H](Cc2cnc3ccccc3c2)C1
InChIInChI=1S/C20H21N3O2/c1-14-19(25-13-22-14)20(24)23-8-4-5-15(12-23)9-16-10-17-6-2-3-7-18(17)21-11-16/h2-3,6-7,10-11,13,15H,4-5,8-9,12H2,1H3/t15-/m1/s1
InChIKeyOTOHCOQTSFICMK-OAHLLOKOSA-N
MW335.41 g/mol
LogP3.63
Rot. Bonds3

About (4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone

(4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone (PubChem CID 124989323) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
PubChem CID124989323
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
SMILESCc1ncoc1C(=O)N1CCC[C@H](Cc2cnc3ccccc3c2)C1
InChIInChI=1S/C20H21N3O2/c1-14-19(25-13-22-14)20(24)23-8-4-5-15(12-23)9-16-10-17-6-2-3-7-18(17)21-11-16/h2-3,6-7,10-11,13,15H,4-5,8-9,12H2,1H3/t15-/m1/s1
InChIKeyOTOHCOQTSFICMK-OAHLLOKOSA-N
XLogP3.63
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124961648
(4-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124970815
pyrimidin-2-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 110111665
(4-methyl-1,3-oxazol-5-yl)-[(4R)-4-(quinolin-6-ylmethyl)azepan-1-yl]methanone
CID 124963940
(4-methyl-1,3-oxazol-5-yl)-[4-(quinolin-6-ylmethyl)azepan-1-yl]methanone
CID 110098792
(4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124951283
pyridazin-3-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 110090994
(5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124967795
pyridazin-4-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 110111706
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 26394219
[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 25455738
(2-methylpyrimidin-5-yl)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124966699

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone (CID 124989323) is (4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone is Cc1ncoc1C(=O)N1CCC[C@H](Cc2cnc3ccccc3c2)C1.
What is the InChIKey of (4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is OTOHCOQTSFICMK-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-19(25-13-22-14)20(24)23-8-4-5-15(12-23)9-16-10-17-6-2-3-7-18(17)21-11-16/h2-3,6-7,10-11,13,15H,4-5,8-9,12H2,1H3/t15-/m1/s1.
What are the key properties of (4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone?
(4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 335.41 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 124989323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).