4-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole

C16H11N3O — CID 167851772

IUPAC4-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole
SMILESc1ccc(-c2ncoc2-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C16H11N3O/c1-2-4-11(5-3-1)14-15(20-10-19-14)12-6-8-17-16-13(12)7-9-18-16/h1-10H,(H,17,18)
InChIKeyCGDWHZTVMKCRTO-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.88
Rot. Bonds2

About 4-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole

4-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole (PubChem CID 167851772) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole
PubChem CID167851772
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name4-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole
SMILESc1ccc(-c2ncoc2-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C16H11N3O/c1-2-4-11(5-3-1)14-15(20-10-19-14)12-6-8-17-16-13(12)7-9-18-16/h1-10H,(H,17,18)
InChIKeyCGDWHZTVMKCRTO-UHFFFAOYSA-N
XLogP3.88
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole?
The IUPAC name of 4-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole (CID 167851772) is 4-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole.
What is the SMILES notation for 4-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole?
The canonical SMILES for 4-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole is c1ccc(-c2ncoc2-c2ccnc3[nH]ccc23)cc1.
What is the InChIKey of 4-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole?
The InChIKey is CGDWHZTVMKCRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c1-2-4-11(5-3-1)14-15(20-10-19-14)12-6-8-17-16-13(12)7-9-18-16/h1-10H,(H,17,18).
What are the key properties of 4-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole?
4-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole has a molecular weight of 261.28 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole is sourced from PubChem (CID 167851772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).