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

C20H14FN5O — CID 139552387

IUPAC4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,3-oxazole
SMILESFc1ccc(-c2ncn(Cc3cocn3)c2-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C20H14FN5O/c21-14-3-1-13(2-4-14)18-19(16-5-7-22-20-17(16)6-8-23-20)26(11-24-18)9-15-10-27-12-25-15/h1-8,10-12H,9H2,(H,22,23)
InChIKeyJYEGSFSRAKLQOE-UHFFFAOYSA-N
MW359.36 g/mol
LogP4.27
Rot. Bonds4

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

4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,3-oxazole (PubChem CID 139552387) has the molecular formula C20H14FN5O and a molecular weight of 359.36 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,3-oxazole
PubChem CID139552387
Molecular FormulaC20H14FN5O
Molecular Weight359.36 g/mol
Exact Mass359.12
IUPAC Name4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,3-oxazole
SMILESFc1ccc(-c2ncn(Cc3cocn3)c2-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C20H14FN5O/c21-14-3-1-13(2-4-14)18-19(16-5-7-22-20-17(16)6-8-23-20)26(11-24-18)9-15-10-27-12-25-15/h1-8,10-12H,9H2,(H,22,23)
InChIKeyJYEGSFSRAKLQOE-UHFFFAOYSA-N
XLogP4.27
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,3-oxazole (CID 139552387) is 4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,3-oxazole is Fc1ccc(-c2ncn(Cc3cocn3)c2-c2ccnc3[nH]ccc23)cc1.
What is the InChIKey of 4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,3-oxazole?
The InChIKey is JYEGSFSRAKLQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5O/c21-14-3-1-13(2-4-14)18-19(16-5-7-22-20-17(16)6-8-23-20)26(11-24-18)9-15-10-27-12-25-15/h1-8,10-12H,9H2,(H,22,23).
What are the key properties of 4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,3-oxazole?
4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,3-oxazole has a molecular weight of 359.36 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 139552387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).