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

C19H17N3O2 — CID 134807625

IUPAC3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
SMILESCc1cc2c(-c3cccc(O)c3)nc(-c3c(C)noc3C)cc2[nH]1
InChIInChI=1S/C19H17N3O2/c1-10-7-15-16(20-10)9-17(18-11(2)22-24-12(18)3)21-19(15)13-5-4-6-14(23)8-13/h4-9,20,23H,1-3H3
InChIKeyOPZWFHUZANUXIS-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.52
Rot. Bonds2

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

3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol (PubChem CID 134807625) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol.

Molecular Properties

Compound Name3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
PubChem CID134807625
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
SMILESCc1cc2c(-c3cccc(O)c3)nc(-c3c(C)noc3C)cc2[nH]1
InChIInChI=1S/C19H17N3O2/c1-10-7-15-16(20-10)9-17(18-11(2)22-24-12(18)3)21-19(15)13-5-4-6-14(23)8-13/h4-9,20,23H,1-3H3
InChIKeyOPZWFHUZANUXIS-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 3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol?
The IUPAC name of 3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol (CID 134807625) is 3-[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 3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol?
The canonical SMILES for 3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol is Cc1cc2c(-c3cccc(O)c3)nc(-c3c(C)noc3C)cc2[nH]1.
What is the InChIKey of 3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol?
The InChIKey is OPZWFHUZANUXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-10-7-15-16(20-10)9-17(18-11(2)22-24-12(18)3)21-19(15)13-5-4-6-14(23)8-13/h4-9,20,23H,1-3H3.
What are the key properties of 3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol?
3-[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 3-[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 134807625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).