(2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinolin-4-ylpiperidin-1-yl)methanone

C20H21N3O2 — CID 122153671

IUPAC(2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinolin-4-ylpiperidin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCC(c3ccnc4ccccc34)CC2)c(C)o1
InChIInChI=1S/C20H21N3O2/c1-13-19(22-14(2)25-13)20(24)23-11-8-15(9-12-23)16-7-10-21-18-6-4-3-5-17(16)18/h3-7,10,15H,8-9,11-12H2,1-2H3
InChIKeyGSVROBPTQFTVHP-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.86
Rot. Bonds2

About (2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinolin-4-ylpiperidin-1-yl)methanone

(2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinolin-4-ylpiperidin-1-yl)methanone (PubChem CID 122153671) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinolin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinolin-4-ylpiperidin-1-yl)methanone
PubChem CID122153671
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinolin-4-ylpiperidin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCC(c3ccnc4ccccc34)CC2)c(C)o1
InChIInChI=1S/C20H21N3O2/c1-13-19(22-14(2)25-13)20(24)23-11-8-15(9-12-23)16-7-10-21-18-6-4-3-5-17(16)18/h3-7,10,15H,8-9,11-12H2,1-2H3
InChIKeyGSVROBPTQFTVHP-UHFFFAOYSA-N
XLogP3.86
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinolin-4-ylpiperidin-1-yl)methanone with MolForge

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Related Compounds

(3Z,6Z)-3-[(5-tert-butyl-1,3-oxazol-4-yl)methylidene]-6-(quinolin-4-ylmethylidene)piperazine-2,5-dione
CID 16068449
2,5-dimethyl-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide
CID 117609598
(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(quinolin-3-ylmethyl)morpholine
CID 71694315
[2-(Diethylaminomethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-quinolin-6-ylmethanone
CID 97520339
1,3-Oxazol-5-yl-[4-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 118739871
{5-Methyl-2-[1-(3-pyridylcarbonyl)-4-piperidyl]-1,3-oxazol-4-YL}(piperidino)methanone
CID 53168392
(2-Cyclobutyl-5-methyl-1,3-oxazol-4-yl)[2-(3-pyridyl)-1-pyrrolidinyl]methanone
CID 53195321
(2-Cyclobutyl-5-methyl-1,3-oxazol-4-yl)[2-(3-pyridyl)piperidino]methanone
CID 53195327
5-Cyclopropyl-N,N-bis(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
CID 74244852
5-methyl-N-[2-(2-methyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 74249304
2-methyl-4-[[(3R)-3-(2-quinolin-8-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 95147070
2,4-dimethyl-N-pentan-3-yl-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazole-5-carboxamide
CID 124874410

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinolin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of (2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinolin-4-ylpiperidin-1-yl)methanone (CID 122153671) is (2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinolin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinolin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinolin-4-ylpiperidin-1-yl)methanone is Cc1nc(C(=O)N2CCC(c3ccnc4ccccc34)CC2)c(C)o1.
What is the InChIKey of (2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinolin-4-ylpiperidin-1-yl)methanone?
The InChIKey is GSVROBPTQFTVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-19(22-14(2)25-13)20(24)23-11-8-15(9-12-23)16-7-10-21-18-6-4-3-5-17(16)18/h3-7,10,15H,8-9,11-12H2,1-2H3.
What are the key properties of (2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinolin-4-ylpiperidin-1-yl)methanone?
(2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinolin-4-ylpiperidin-1-yl)methanone has a molecular weight of 335.41 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinolin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 122153671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).