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

C17H18N4O3 — CID 155547470

IUPAC(3-methoxy-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCCC(c3cc4ncccc4[nH]3)C2)on1
InChIInChI=1S/C17H18N4O3/c1-23-16-9-15(24-20-16)17(22)21-7-3-4-11(10-21)13-8-14-12(19-13)5-2-6-18-14/h2,5-6,8-9,11,19H,3-4,7,10H2,1H3
InChIKeySOOXOFOIQRSLHO-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.58
Rot. Bonds3

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

(3-methoxy-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone (PubChem CID 155547470) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is (3-methoxy-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxy-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
PubChem CID155547470
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name(3-methoxy-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCCC(c3cc4ncccc4[nH]3)C2)on1
InChIInChI=1S/C17H18N4O3/c1-23-16-9-15(24-20-16)17(22)21-7-3-4-11(10-21)13-8-14-12(19-13)5-2-6-18-14/h2,5-6,8-9,11,19H,3-4,7,10H2,1H3
InChIKeySOOXOFOIQRSLHO-UHFFFAOYSA-N
XLogP2.58
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-methoxy-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone (CID 155547470) is (3-methoxy-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-methoxy-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methoxy-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone is COc1cc(C(=O)N2CCCC(c3cc4ncccc4[nH]3)C2)on1.
What is the InChIKey of (3-methoxy-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone?
The InChIKey is SOOXOFOIQRSLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-23-16-9-15(24-20-16)17(22)21-7-3-4-11(10-21)13-8-14-12(19-13)5-2-6-18-14/h2,5-6,8-9,11,19H,3-4,7,10H2,1H3.
What are the key properties of (3-methoxy-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone?
(3-methoxy-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone has a molecular weight of 326.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 155547470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).