2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol

C19H17N3O2 — CID 137288918

IUPAC2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
SMILESCc1cc2c(-c3ccccc3O)nc(-c3c(C)noc3C)cc2[nH]1
InChIInChI=1S/C19H17N3O2/c1-10-8-14-15(20-10)9-16(18-11(2)22-24-12(18)3)21-19(14)13-6-4-5-7-17(13)23/h4-9,20,23H,1-3H3
InChIKeyQAOSRNXOWOHRPZ-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.52
Rot. Bonds2

About 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol

2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol (PubChem CID 137288918) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol.

Molecular Properties

Compound Name2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
PubChem CID137288918
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
SMILESCc1cc2c(-c3ccccc3O)nc(-c3c(C)noc3C)cc2[nH]1
InChIInChI=1S/C19H17N3O2/c1-10-8-14-15(20-10)9-16(18-11(2)22-24-12(18)3)21-19(14)13-6-4-5-7-17(13)23/h4-9,20,23H,1-3H3
InChIKeyQAOSRNXOWOHRPZ-UHFFFAOYSA-N
XLogP4.52
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol?
The IUPAC name of 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol (CID 137288918) is 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol.
What is the SMILES notation for 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol?
The canonical SMILES for 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol is Cc1cc2c(-c3ccccc3O)nc(-c3c(C)noc3C)cc2[nH]1.
What is the InChIKey of 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol?
The InChIKey is QAOSRNXOWOHRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-10-8-14-15(20-10)9-16(18-11(2)22-24-12(18)3)21-19(14)13-6-4-5-7-17(13)23/h4-9,20,23H,1-3H3.
What are the key properties of 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol?
2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol has a molecular weight of 319.36 g/mol, XLogP of 4.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol is sourced from PubChem (CID 137288918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).