(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]methanone

C18H20N4O2 — CID 92605306

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC[C@@H](c2cc3cnccc3[nH]2)C1
InChIInChI=1S/C18H20N4O2/c1-11-17(12(2)24-21-11)18(23)22-7-3-4-13(10-22)16-8-14-9-19-6-5-15(14)20-16/h5-6,8-9,13,20H,3-4,7,10H2,1-2H3/t13-/m1/s1
InChIKeyFYVVINAATWOSFK-CYBMUJFWSA-N
MW324.38 g/mol
LogP3.19
Rot. Bonds2

About (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]methanone (PubChem CID 92605306) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]methanone
PubChem CID92605306
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC[C@@H](c2cc3cnccc3[nH]2)C1
InChIInChI=1S/C18H20N4O2/c1-11-17(12(2)24-21-11)18(23)22-7-3-4-13(10-22)16-8-14-9-19-6-5-15(14)20-16/h5-6,8-9,13,20H,3-4,7,10H2,1-2H3/t13-/m1/s1
InChIKeyFYVVINAATWOSFK-CYBMUJFWSA-N
XLogP3.19
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110270945
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CID 110270937
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95845478
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734524
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 71926893
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone
CID 90608578
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 70722084
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3S)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone
CID 92588311
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 110104637
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]methanone
CID 100656424
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97189613
(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[(3R)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone
CID 92588234

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]methanone (CID 92605306) is (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]methanone is Cc1noc(C)c1C(=O)N1CCC[C@@H](c2cc3cnccc3[nH]2)C1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]methanone?
The InChIKey is FYVVINAATWOSFK-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-11-17(12(2)24-21-11)18(23)22-7-3-4-13(10-22)16-8-14-9-19-6-5-15(14)20-16/h5-6,8-9,13,20H,3-4,7,10H2,1-2H3/t13-/m1/s1.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]methanone has a molecular weight of 324.38 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 92605306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).