[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone

C24H25N5O3 — CID 125014476

IUPAC[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone
SMILESCc1nn(C)cc1-c1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4)o3)C2)on1
InChIInChI=1S/C24H25N5O3/c1-16-20(15-28(2)26-16)21-12-22(32-27-21)24(30)29-10-6-9-18(14-29)23-25-13-19(31-23)11-17-7-4-3-5-8-17/h3-5,7-8,12-13,15,18H,6,9-11,14H2,1-2H3/t18-/m1/s1
InChIKeyWMQFHNJETPLDKW-GOSISDBHSA-N
MW431.50 g/mol
LogP3.98
Rot. Bonds5

About [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone

[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone (PubChem CID 125014476) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone
PubChem CID125014476
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone
SMILESCc1nn(C)cc1-c1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4)o3)C2)on1
InChIInChI=1S/C24H25N5O3/c1-16-20(15-28(2)26-16)21-12-22(32-27-21)24(30)29-10-6-9-18(14-29)23-25-13-19(31-23)11-17-7-4-3-5-8-17/h3-5,7-8,12-13,15,18H,6,9-11,14H2,1-2H3/t18-/m1/s1
InChIKeyWMQFHNJETPLDKW-GOSISDBHSA-N
XLogP3.98
TPSA90.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 124948138
[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 110119492
[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methanone
CID 124979913
[(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
[(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methanone
CID 124996549
[(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-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 125012473
6-[3-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 110133724
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 129457126
[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 124975249
[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124948499

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone?
The IUPAC name of [(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) is [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone?
The canonical SMILES for [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone is Cc1nn(C)cc1-c1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4)o3)C2)on1.
What is the InChIKey of [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone?
The InChIKey is WMQFHNJETPLDKW-GOSISDBHSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-16-20(15-28(2)26-16)21-12-22(32-27-21)24(30)29-10-6-9-18(14-29)23-25-13-19(31-23)11-17-7-4-3-5-8-17/h3-5,7-8,12-13,15,18H,6,9-11,14H2,1-2H3/t18-/m1/s1.
What are the key properties of [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone?
[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone has a molecular weight of 431.50 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 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-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 125014476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).