(2-chlorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol

C19H16ClN3O2 — CID 86267713

IUPAC(2-chlorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESCc1noc(C)c1-c1cnc2[nH]cc(C(O)c3ccccc3Cl)c2c1
InChIInChI=1S/C19H16ClN3O2/c1-10-17(11(2)25-23-10)12-7-14-15(9-22-19(14)21-8-12)18(24)13-5-3-4-6-16(13)20/h3-9,18,24H,1-2H3,(H,21,22)
InChIKeyFKDFHDNKPKHORF-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.57
Rot. Bonds3

About (2-chlorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol

(2-chlorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol (PubChem CID 86267713) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is (2-chlorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol.

Molecular Properties

Compound Name(2-chlorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
PubChem CID86267713
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name(2-chlorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESCc1noc(C)c1-c1cnc2[nH]cc(C(O)c3ccccc3Cl)c2c1
InChIInChI=1S/C19H16ClN3O2/c1-10-17(11(2)25-23-10)12-7-14-15(9-22-19(14)21-8-12)18(24)13-5-3-4-6-16(13)20/h3-9,18,24H,1-2H3,(H,21,22)
InChIKeyFKDFHDNKPKHORF-UHFFFAOYSA-N
XLogP4.57
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2-chlorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol?
The IUPAC name of (2-chlorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol (CID 86267713) is (2-chlorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol.
What is the SMILES notation for (2-chlorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol?
The canonical SMILES for (2-chlorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol is Cc1noc(C)c1-c1cnc2[nH]cc(C(O)c3ccccc3Cl)c2c1.
What is the InChIKey of (2-chlorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol?
The InChIKey is FKDFHDNKPKHORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-10-17(11(2)25-23-10)12-7-14-15(9-22-19(14)21-8-12)18(24)13-5-3-4-6-16(13)20/h3-9,18,24H,1-2H3,(H,21,22).
What are the key properties of (2-chlorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol?
(2-chlorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol has a molecular weight of 353.81 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol is sourced from PubChem (CID 86267713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).