(3-tert-butyl-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone

C20H24N4O2 — CID 155527689

IUPAC(3-tert-butyl-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
SMILESCC(C)(C)c1cc(C(=O)N2CCCC(c3cc4ncccc4[nH]3)C2)on1
InChIInChI=1S/C20H24N4O2/c1-20(2,3)18-11-17(26-23-18)19(25)24-9-5-6-13(12-24)15-10-16-14(22-15)7-4-8-21-16/h4,7-8,10-11,13,22H,5-6,9,12H2,1-3H3
InChIKeySEEMNNCNSOUAFK-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.87
Rot. Bonds2

About (3-tert-butyl-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone

(3-tert-butyl-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone (PubChem CID 155527689) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (3-tert-butyl-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-tert-butyl-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
PubChem CID155527689
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name(3-tert-butyl-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
SMILESCC(C)(C)c1cc(C(=O)N2CCCC(c3cc4ncccc4[nH]3)C2)on1
InChIInChI=1S/C20H24N4O2/c1-20(2,3)18-11-17(26-23-18)19(25)24-9-5-6-13(12-24)15-10-16-14(22-15)7-4-8-21-16/h4,7-8,10-11,13,22H,5-6,9,12H2,1-3H3
InChIKeySEEMNNCNSOUAFK-UHFFFAOYSA-N
XLogP3.87
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-tert-butyl-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone (CID 155527689) is (3-tert-butyl-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-tert-butyl-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-tert-butyl-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone is CC(C)(C)c1cc(C(=O)N2CCCC(c3cc4ncccc4[nH]3)C2)on1.
What is the InChIKey of (3-tert-butyl-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone?
The InChIKey is SEEMNNCNSOUAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-20(2,3)18-11-17(26-23-18)19(25)24-9-5-6-13(12-24)15-10-16-14(22-15)7-4-8-21-16/h4,7-8,10-11,13,22H,5-6,9,12H2,1-3H3.
What are the key properties of (3-tert-butyl-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone?
(3-tert-butyl-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone has a molecular weight of 352.44 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 155527689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).