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

C20H19N5O2 — CID 134806025

IUPAC2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1noc(C)c1-c1cnc2[nH]cc(CC(=O)NCc3cccnc3)c2c1
InChIInChI=1S/C20H19N5O2/c1-12-19(13(2)27-25-12)16-6-17-15(10-23-20(17)24-11-16)7-18(26)22-9-14-4-3-5-21-8-14/h3-6,8,10-11H,7,9H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyGACVTJJFMFUZTH-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.09
Rot. Bonds5

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

2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 134806025) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID134806025
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1noc(C)c1-c1cnc2[nH]cc(CC(=O)NCc3cccnc3)c2c1
InChIInChI=1S/C20H19N5O2/c1-12-19(13(2)27-25-12)16-6-17-15(10-23-20(17)24-11-16)7-18(26)22-9-14-4-3-5-21-8-14/h3-6,8,10-11H,7,9H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyGACVTJJFMFUZTH-UHFFFAOYSA-N
XLogP3.09
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-4-[3-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole
CID 86267710
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 90978973
ethyl 3-oxo-3-(pyridin-3-ylmethylamino)propanoate
CID 110465393
5-methyl-3-pyridin-2-yl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 53001861
5-(4-methylphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 46141727
N-[(2,5-difluorophenyl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144431
N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 155597416
5-[(2,6-dimethylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 25275496
2-(1,2-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46612175
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 108984681
N'-(2-ethyl-6-methylphenyl)-N-(pyridin-3-ylmethyl)propanediamide
CID 108947663

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 134806025) is 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide is Cc1noc(C)c1-c1cnc2[nH]cc(CC(=O)NCc3cccnc3)c2c1.
What is the InChIKey of 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is GACVTJJFMFUZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-12-19(13(2)27-25-12)16-6-17-15(10-23-20(17)24-11-16)7-18(26)22-9-14-4-3-5-21-8-14/h3-6,8,10-11H,7,9H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 361.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 134806025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).