N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide

C15H17N5O2 — CID 126812704

IUPACN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCc1noc(C(C)(C)NC(=O)Cc2c[nH]c3ncccc23)n1
InChIInChI=1S/C15H17N5O2/c1-9-18-14(22-20-9)15(2,3)19-12(21)7-10-8-17-13-11(10)5-4-6-16-13/h4-6,8H,7H2,1-3H3,(H,16,17)(H,19,21)
InChIKeyNTKLSSNVYNWMMO-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.85
Rot. Bonds4

About N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (PubChem CID 126812704) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
PubChem CID126812704
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCc1noc(C(C)(C)NC(=O)Cc2c[nH]c3ncccc23)n1
InChIInChI=1S/C15H17N5O2/c1-9-18-14(22-20-9)15(2,3)19-12(21)7-10-8-17-13-11(10)5-4-6-16-13/h4-6,8H,7H2,1-3H3,(H,16,17)(H,19,21)
InChIKeyNTKLSSNVYNWMMO-UHFFFAOYSA-N
XLogP1.85
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (CID 126812704) is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is Cc1noc(C(C)(C)NC(=O)Cc2c[nH]c3ncccc23)n1.
What is the InChIKey of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The InChIKey is NTKLSSNVYNWMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-9-18-14(22-20-9)15(2,3)19-12(21)7-10-8-17-13-11(10)5-4-6-16-13/h4-6,8H,7H2,1-3H3,(H,16,17)(H,19,21).
What are the key properties of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 299.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 126812704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).