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

C18H20N4O2 — CID 155534937

IUPAC(2,4-dimethyl-1,3-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCCC(c3cc4ncccc4[nH]3)C2)o1
InChIInChI=1S/C18H20N4O2/c1-11-17(24-12(2)20-11)18(23)22-8-4-5-13(10-22)15-9-16-14(21-15)6-3-7-19-16/h3,6-7,9,13,21H,4-5,8,10H2,1-2H3
InChIKeyHAZWCBBZPXYGHA-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.19
Rot. Bonds2

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

(2,4-dimethyl-1,3-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone (PubChem CID 155534937) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
PubChem CID155534937
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name(2,4-dimethyl-1,3-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCCC(c3cc4ncccc4[nH]3)C2)o1
InChIInChI=1S/C18H20N4O2/c1-11-17(24-12(2)20-11)18(23)22-8-4-5-13(10-22)15-9-16-14(21-15)6-3-7-19-16/h3,6-7,9,13,21H,4-5,8,10H2,1-2H3
InChIKeyHAZWCBBZPXYGHA-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone (CID 155534937) is (2,4-dimethyl-1,3-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone is Cc1nc(C)c(C(=O)N2CCCC(c3cc4ncccc4[nH]3)C2)o1.
What is the InChIKey of (2,4-dimethyl-1,3-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone?
The InChIKey is HAZWCBBZPXYGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-11-17(24-12(2)20-11)18(23)22-8-4-5-13(10-22)15-9-16-14(21-15)6-3-7-19-16/h3,6-7,9,13,21H,4-5,8,10H2,1-2H3.
What are the key properties of (2,4-dimethyl-1,3-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone?
(2,4-dimethyl-1,3-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]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 (2,4-dimethyl-1,3-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 155534937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).