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

C19H20N4O2 — CID 110236408

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCCC(c2cc3ncccc3[nH]2)C1
InChIInChI=1S/C19H20N4O2/c24-19(17-10-18(25-22-17)12-5-6-12)23-8-2-3-13(11-23)15-9-16-14(21-15)4-1-7-20-16/h1,4,7,9-10,12-13,21H,2-3,5-6,8,11H2
InChIKeyMCGVWBMTTYGPCJ-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.45
Rot. Bonds3

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

(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone (PubChem CID 110236408) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
PubChem CID110236408
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCCC(c2cc3ncccc3[nH]2)C1
InChIInChI=1S/C19H20N4O2/c24-19(17-10-18(25-22-17)12-5-6-12)23-8-2-3-13(11-23)15-9-16-14(21-15)4-1-7-20-16/h1,4,7,9-10,12-13,21H,2-3,5-6,8,11H2
InChIKeyMCGVWBMTTYGPCJ-UHFFFAOYSA-N
XLogP3.45
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone (CID 110236408) is (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone is O=C(c1cc(C2CC2)on1)N1CCCC(c2cc3ncccc3[nH]2)C1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone?
The InChIKey is MCGVWBMTTYGPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-19(17-10-18(25-22-17)12-5-6-12)23-8-2-3-13(11-23)15-9-16-14(21-15)4-1-7-20-16/h1,4,7,9-10,12-13,21H,2-3,5-6,8,11H2.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone has a molecular weight of 336.40 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110236408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).