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

C21H12F2N4O — CID 135566739

IUPAC4-(2,3-difluorophenyl)-5-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole
SMILESFc1cccc(-c2cnoc2-c2c[nH]c3ncc(-c4ccncc4)cc23)c1F
InChIInChI=1S/C21H12F2N4O/c22-18-3-1-2-14(19(18)23)17-11-27-28-20(17)16-10-26-21-15(16)8-13(9-25-21)12-4-6-24-7-5-12/h1-11H,(H,25,26)
InChIKeyPDSVBDXSUMHLAP-UHFFFAOYSA-N
MW374.35 g/mol
LogP5.23
Rot. Bonds3

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

4-(2,3-difluorophenyl)-5-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole (PubChem CID 135566739) has the molecular formula C21H12F2N4O and a molecular weight of 374.35 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-5-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-5-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole
PubChem CID135566739
Molecular FormulaC21H12F2N4O
Molecular Weight374.35 g/mol
Exact Mass374.10
IUPAC Name4-(2,3-difluorophenyl)-5-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole
SMILESFc1cccc(-c2cnoc2-c2c[nH]c3ncc(-c4ccncc4)cc23)c1F
InChIInChI=1S/C21H12F2N4O/c22-18-3-1-2-14(19(18)23)17-11-27-28-20(17)16-10-26-21-15(16)8-13(9-25-21)12-4-6-24-7-5-12/h1-11H,(H,25,26)
InChIKeyPDSVBDXSUMHLAP-UHFFFAOYSA-N
XLogP5.23
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.35
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-5-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole?
The IUPAC name of 4-(2,3-difluorophenyl)-5-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole (CID 135566739) is 4-(2,3-difluorophenyl)-5-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole.
What is the SMILES notation for 4-(2,3-difluorophenyl)-5-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole?
The canonical SMILES for 4-(2,3-difluorophenyl)-5-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole is Fc1cccc(-c2cnoc2-c2c[nH]c3ncc(-c4ccncc4)cc23)c1F.
What is the InChIKey of 4-(2,3-difluorophenyl)-5-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole?
The InChIKey is PDSVBDXSUMHLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F2N4O/c22-18-3-1-2-14(19(18)23)17-11-27-28-20(17)16-10-26-21-15(16)8-13(9-25-21)12-4-6-24-7-5-12/h1-11H,(H,25,26).
What are the key properties of 4-(2,3-difluorophenyl)-5-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole?
4-(2,3-difluorophenyl)-5-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole has a molecular weight of 374.35 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-5-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole is sourced from PubChem (CID 135566739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).