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

C21H23N3O2 — CID 138035846

IUPAC(2-ethyl-5-methyl-1,3-oxazol-4-yl)-(4-quinolin-4-ylpiperidin-1-yl)methanone
SMILESCCc1nc(C(=O)N2CCC(c3ccnc4ccccc34)CC2)c(C)o1
InChIInChI=1S/C21H23N3O2/c1-3-19-23-20(14(2)26-19)21(25)24-12-9-15(10-13-24)16-8-11-22-18-7-5-4-6-17(16)18/h4-8,11,15H,3,9-10,12-13H2,1-2H3
InChIKeyGCQCSUWCWCBMSB-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.11
Rot. Bonds3

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

(2-ethyl-5-methyl-1,3-oxazol-4-yl)-(4-quinolin-4-ylpiperidin-1-yl)methanone (PubChem CID 138035846) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2-ethyl-5-methyl-1,3-oxazol-4-yl)-(4-quinolin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-ethyl-5-methyl-1,3-oxazol-4-yl)-(4-quinolin-4-ylpiperidin-1-yl)methanone
PubChem CID138035846
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(2-ethyl-5-methyl-1,3-oxazol-4-yl)-(4-quinolin-4-ylpiperidin-1-yl)methanone
SMILESCCc1nc(C(=O)N2CCC(c3ccnc4ccccc34)CC2)c(C)o1
InChIInChI=1S/C21H23N3O2/c1-3-19-23-20(14(2)26-19)21(25)24-12-9-15(10-13-24)16-8-11-22-18-7-5-4-6-17(16)18/h4-8,11,15H,3,9-10,12-13H2,1-2H3
InChIKeyGCQCSUWCWCBMSB-UHFFFAOYSA-N
XLogP4.11
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-quinolin-4-ylpiperidine-1-sulfonamide
CID 138029984
(2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 70785001
(NZ)-N-[2-phenyl-1-(4-quinolin-4-ylpiperidin-1-yl)ethylidene]hydroxylamine
CID 139429293
(5-methyl-1,3-oxazol-4-yl)-[4-(quinolin-5-ylmethyl)azepan-1-yl]methanone
CID 110111851
4-cyclopentylquinoline
CID 57273226
[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone
CID 126782330
(2-methylpyrimidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 110111683
ethane;1-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]ethanone
CID 145399194
isoquinolin-1-yl-[4-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methanone
CID 92603256
[4-(2-methylphenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
CID 138034460
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 128516662
ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate
CID 110694883

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methyl-1,3-oxazol-4-yl)-(4-quinolin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of (2-ethyl-5-methyl-1,3-oxazol-4-yl)-(4-quinolin-4-ylpiperidin-1-yl)methanone (CID 138035846) is (2-ethyl-5-methyl-1,3-oxazol-4-yl)-(4-quinolin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-ethyl-5-methyl-1,3-oxazol-4-yl)-(4-quinolin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2-ethyl-5-methyl-1,3-oxazol-4-yl)-(4-quinolin-4-ylpiperidin-1-yl)methanone is CCc1nc(C(=O)N2CCC(c3ccnc4ccccc34)CC2)c(C)o1.
What is the InChIKey of (2-ethyl-5-methyl-1,3-oxazol-4-yl)-(4-quinolin-4-ylpiperidin-1-yl)methanone?
The InChIKey is GCQCSUWCWCBMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-19-23-20(14(2)26-19)21(25)24-12-9-15(10-13-24)16-8-11-22-18-7-5-4-6-17(16)18/h4-8,11,15H,3,9-10,12-13H2,1-2H3.
What are the key properties of (2-ethyl-5-methyl-1,3-oxazol-4-yl)-(4-quinolin-4-ylpiperidin-1-yl)methanone?
(2-ethyl-5-methyl-1,3-oxazol-4-yl)-(4-quinolin-4-ylpiperidin-1-yl)methanone has a molecular weight of 349.43 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methyl-1,3-oxazol-4-yl)-(4-quinolin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 138035846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).