2-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole

C12H11N3O — CID 59362656

IUPAC2-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole
SMILESCCc1ncc(-c2c[nH]c3ncccc23)o1
InChIInChI=1S/C12H11N3O/c1-2-11-14-7-10(16-11)9-6-15-12-8(9)4-3-5-13-12/h3-7H,2H2,1H3,(H,13,15)
InChIKeyIVANCTVJTLGMKE-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.78
Rot. Bonds2

About 2-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole

2-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole (PubChem CID 59362656) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole
PubChem CID59362656
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name2-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole
SMILESCCc1ncc(-c2c[nH]c3ncccc23)o1
InChIInChI=1S/C12H11N3O/c1-2-11-14-7-10(16-11)9-6-15-12-8(9)4-3-5-13-12/h3-7H,2H2,1H3,(H,13,15)
InChIKeyIVANCTVJTLGMKE-UHFFFAOYSA-N
XLogP2.78
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-Oxazolo[4,5-b]pyridin-2-yl-benzyl)-propionamide
CID 6463413
2-Phenyloxazolo[4,5-b]pyridine
CID 9990264
N-[(1R)-3-amino-3-oxo-1-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazol-2-yl]propyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 24861177
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazol-2-yl]methyl]pyridine-3-carboxamide
CID 59362448
N-(3-(5-(oxazol-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)methacrylamide
CID 89630021
2-methyl-N-[3-[5-(1,3-oxazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]prop-2-enamide
CID 89630043
prop-2-enyl (3R)-3-[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazol-2-yl]propanoate
CID 123869978
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazol-4-yl]methyl]pyridine-3-carboxamide
CID 136203285
US11420966, Example 37
CID 155253801
US11420966, Example 66
CID 155253838
US11420966, Example 13
CID 155253854
US11420966, Example 36
CID 155253878

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole?
The IUPAC name of 2-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole (CID 59362656) is 2-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole.
What is the SMILES notation for 2-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole?
The canonical SMILES for 2-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole is CCc1ncc(-c2c[nH]c3ncccc23)o1.
What is the InChIKey of 2-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole?
The InChIKey is IVANCTVJTLGMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-2-11-14-7-10(16-11)9-6-15-12-8(9)4-3-5-13-12/h3-7H,2H2,1H3,(H,13,15).
What are the key properties of 2-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole?
2-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole has a molecular weight of 213.24 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole is sourced from PubChem (CID 59362656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).