(5R)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)oxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole

C23H19N3O3 — CID 58126286

IUPAC(5R)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)oxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole
SMILESCn1ccc2cc(OC3=NO[C@@H](c4ccc(Oc5ccccc5)cc4)C3)cnc21
InChIInChI=1S/C23H19N3O3/c1-26-12-11-17-13-20(15-24-23(17)26)28-22-14-21(29-25-22)16-7-9-19(10-8-16)27-18-5-3-2-4-6-18/h2-13,15,21H,14H2,1H3/t21-/m1/s1
InChIKeyCRKQLYUJYHEAKE-OAQYLSRUSA-N
MW385.42 g/mol
LogP5.22
Rot. Bonds4

About (5R)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)oxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole

(5R)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)oxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 58126286) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is (5R)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)oxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)oxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID58126286
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name(5R)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)oxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole
SMILESCn1ccc2cc(OC3=NO[C@@H](c4ccc(Oc5ccccc5)cc4)C3)cnc21
InChIInChI=1S/C23H19N3O3/c1-26-12-11-17-13-20(15-24-23(17)26)28-22-14-21(29-25-22)16-7-9-19(10-8-16)27-18-5-3-2-4-6-18/h2-13,15,21H,14H2,1H3/t21-/m1/s1
InChIKeyCRKQLYUJYHEAKE-OAQYLSRUSA-N
XLogP5.22
TPSA57.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)oxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)oxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole (CID 58126286) is (5R)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)oxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)oxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)oxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole is Cn1ccc2cc(OC3=NO[C@@H](c4ccc(Oc5ccccc5)cc4)C3)cnc21.
What is the InChIKey of (5R)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)oxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is CRKQLYUJYHEAKE-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-26-12-11-17-13-20(15-24-23(17)26)28-22-14-21(29-25-22)16-7-9-19(10-8-16)27-18-5-3-2-4-6-18/h2-13,15,21H,14H2,1H3/t21-/m1/s1.
What are the key properties of (5R)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)oxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole?
(5R)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)oxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 385.42 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)oxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 58126286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).