(5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone

C20H21N3O2 — CID 124967795

IUPAC(5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
SMILESCc1ocnc1C(=O)N1CCC[C@H](Cc2ccc3ncccc3c2)C1
InChIInChI=1S/C20H21N3O2/c1-14-19(22-13-25-14)20(24)23-9-3-4-16(12-23)10-15-6-7-18-17(11-15)5-2-8-21-18/h2,5-8,11,13,16H,3-4,9-10,12H2,1H3/t16-/m1/s1
InChIKeyIVVSPPQRXOFOLP-MRXNPFEDSA-N
MW335.41 g/mol
LogP3.63
Rot. Bonds3

About (5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone

(5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone (PubChem CID 124967795) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
PubChem CID124967795
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
SMILESCc1ocnc1C(=O)N1CCC[C@H](Cc2ccc3ncccc3c2)C1
InChIInChI=1S/C20H21N3O2/c1-14-19(22-13-25-14)20(24)23-9-3-4-16(12-23)10-15-6-7-18-17(11-15)5-2-8-21-18/h2,5-8,11,13,16H,3-4,9-10,12H2,1H3/t16-/m1/s1
InChIKeyIVVSPPQRXOFOLP-MRXNPFEDSA-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 (5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(5-methyl-1,3-oxazol-4-yl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 110132081
(2-methylpyrimidin-5-yl)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124966699
(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
pyrimidin-5-yl-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 125015441
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 132767463
(5-methyl-1,3-oxazol-4-yl)-[4-(quinolin-5-ylmethyl)azepan-1-yl]methanone
CID 110111851
(4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124989323
[4-(4-methylphenyl)oxan-4-yl]-[3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 155984432
(5-methylpyrazin-2-yl)-[(6S)-6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124969677
pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
CID 110258714
pyrimidin-2-yl-[(6S)-6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 125019888

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone (CID 124967795) is (5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone is Cc1ocnc1C(=O)N1CCC[C@H](Cc2ccc3ncccc3c2)C1.
What is the InChIKey of (5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is IVVSPPQRXOFOLP-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-19(22-13-25-14)20(24)23-9-3-4-16(12-23)10-15-6-7-18-17(11-15)5-2-8-21-18/h2,5-8,11,13,16H,3-4,9-10,12H2,1H3/t16-/m1/s1.
What are the key properties of (5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone?
(5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(quinolin-6-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 (5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 124967795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).