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

C19H22N4O2 — CID 91800714

IUPAC(3-propan-2-yl-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CCCC(c3cc4ncccc4[nH]3)C2)on1
InChIInChI=1S/C19H22N4O2/c1-12(2)15-10-18(25-22-15)19(24)23-8-4-5-13(11-23)16-9-17-14(21-16)6-3-7-20-17/h3,6-7,9-10,12-13,21H,4-5,8,11H2,1-2H3
InChIKeyAEMVOEKFEZFZOC-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.69
Rot. Bonds3

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

(3-propan-2-yl-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone (PubChem CID 91800714) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3-propan-2-yl-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-propan-2-yl-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
PubChem CID91800714
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(3-propan-2-yl-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CCCC(c3cc4ncccc4[nH]3)C2)on1
InChIInChI=1S/C19H22N4O2/c1-12(2)15-10-18(25-22-15)19(24)23-8-4-5-13(11-23)16-9-17-14(21-16)6-3-7-20-17/h3,6-7,9-10,12-13,21H,4-5,8,11H2,1-2H3
InChIKeyAEMVOEKFEZFZOC-UHFFFAOYSA-N
XLogP3.69
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-propan-2-yl-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone (CID 91800714) is (3-propan-2-yl-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-propan-2-yl-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-propan-2-yl-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone is CC(C)c1cc(C(=O)N2CCCC(c3cc4ncccc4[nH]3)C2)on1.
What is the InChIKey of (3-propan-2-yl-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone?
The InChIKey is AEMVOEKFEZFZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12(2)15-10-18(25-22-15)19(24)23-8-4-5-13(11-23)16-9-17-14(21-16)6-3-7-20-17/h3,6-7,9-10,12-13,21H,4-5,8,11H2,1-2H3.
What are the key properties of (3-propan-2-yl-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone?
(3-propan-2-yl-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone has a molecular weight of 338.41 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 91800714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).