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

C15H16N4O2 — CID 138012535

IUPACN-(5-propan-2-yl-1,2-oxazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCC(C)c1oncc1NC(=O)Cc1c[nH]c2ncccc12
InChIInChI=1S/C15H16N4O2/c1-9(2)14-12(8-18-21-14)19-13(20)6-10-7-17-15-11(10)4-3-5-16-15/h3-5,7-9H,6H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyAKCPRJAZXNAWIX-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.86
Rot. Bonds4

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

N-(5-propan-2-yl-1,2-oxazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (PubChem CID 138012535) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,2-oxazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,2-oxazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
PubChem CID138012535
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-(5-propan-2-yl-1,2-oxazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCC(C)c1oncc1NC(=O)Cc1c[nH]c2ncccc12
InChIInChI=1S/C15H16N4O2/c1-9(2)14-12(8-18-21-14)19-13(20)6-10-7-17-15-11(10)4-3-5-16-15/h3-5,7-9H,6H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyAKCPRJAZXNAWIX-UHFFFAOYSA-N
XLogP2.86
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1,2-oxazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The IUPAC name of N-(5-propan-2-yl-1,2-oxazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (CID 138012535) is N-(5-propan-2-yl-1,2-oxazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for N-(5-propan-2-yl-1,2-oxazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for N-(5-propan-2-yl-1,2-oxazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is CC(C)c1oncc1NC(=O)Cc1c[nH]c2ncccc12.
What is the InChIKey of N-(5-propan-2-yl-1,2-oxazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The InChIKey is AKCPRJAZXNAWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9(2)14-12(8-18-21-14)19-13(20)6-10-7-17-15-11(10)4-3-5-16-15/h3-5,7-9H,6H2,1-2H3,(H,16,17)(H,19,20).
What are the key properties of N-(5-propan-2-yl-1,2-oxazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
N-(5-propan-2-yl-1,2-oxazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 284.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,2-oxazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 138012535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).