[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone

C24H24N4O3 — CID 125024772

IUPAC[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4)o3)C2)c2c(C)noc2n1
InChIInChI=1S/C24H24N4O3/c1-15-11-20(21-16(2)27-31-23(21)26-15)24(29)28-10-6-9-18(14-28)22-25-13-19(30-22)12-17-7-4-3-5-8-17/h3-5,7-8,11,13,18H,6,9-10,12,14H2,1-2H3/t18-/m1/s1
InChIKeyZHTUDVDZKBNJEE-GOSISDBHSA-N
MW416.48 g/mol
LogP4.44
Rot. Bonds4

About [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone

[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone (PubChem CID 125024772) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
PubChem CID125024772
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4)o3)C2)c2c(C)noc2n1
InChIInChI=1S/C24H24N4O3/c1-15-11-20(21-16(2)27-31-23(21)26-15)24(29)28-10-6-9-18(14-28)22-25-13-19(30-22)12-17-7-4-3-5-8-17/h3-5,7-8,11,13,18H,6,9-10,12,14H2,1-2H3/t18-/m1/s1
InChIKeyZHTUDVDZKBNJEE-GOSISDBHSA-N
XLogP4.44
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone with MolForge

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Related Compounds

[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 110120153
[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 124952533
[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124957437
[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 110119492
[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methanone
CID 124999880
[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone
CID 125014476
[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124948498
[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124948499
[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 110119963
6-[3-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 110133724
[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 110121409
1-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 125018171

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
The IUPAC name of [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone (CID 125024772) is [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone.
What is the SMILES notation for [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
The canonical SMILES for [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone is Cc1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4)o3)C2)c2c(C)noc2n1.
What is the InChIKey of [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
The InChIKey is ZHTUDVDZKBNJEE-GOSISDBHSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-15-11-20(21-16(2)27-31-23(21)26-15)24(29)28-10-6-9-18(14-28)22-25-13-19(30-22)12-17-7-4-3-5-8-17/h3-5,7-8,11,13,18H,6,9-10,12,14H2,1-2H3/t18-/m1/s1.
What are the key properties of [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone has a molecular weight of 416.48 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone is sourced from PubChem (CID 125024772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).