6-(4-methoxyphenyl)-5-methyl-3-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride

C19H16ClN3O3 — CID 52974245

IUPAC6-(4-methoxyphenyl)-5-methyl-3-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride
SMILESCOc1ccc(-c2cc3onc(-c4ccncc4)c3c(=O)n2C)cc1.Cl
InChIInChI=1S/C19H15N3O3.ClH/c1-22-15(12-3-5-14(24-2)6-4-12)11-16-17(19(22)23)18(21-25-16)13-7-9-20-10-8-13;/h3-11H,1-2H3;1H
InChIKeyHXHQNERSIJXMTQ-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.69
Rot. Bonds3

About 6-(4-methoxyphenyl)-5-methyl-3-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride

6-(4-methoxyphenyl)-5-methyl-3-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride (PubChem CID 52974245) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-5-methyl-3-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-5-methyl-3-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride
PubChem CID52974245
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name6-(4-methoxyphenyl)-5-methyl-3-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride
SMILESCOc1ccc(-c2cc3onc(-c4ccncc4)c3c(=O)n2C)cc1.Cl
InChIInChI=1S/C19H15N3O3.ClH/c1-22-15(12-3-5-14(24-2)6-4-12)11-16-17(19(22)23)18(21-25-16)13-7-9-20-10-8-13;/h3-11H,1-2H3;1H
InChIKeyHXHQNERSIJXMTQ-UHFFFAOYSA-N
XLogP3.69
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-5-methyl-3-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride?
The IUPAC name of 6-(4-methoxyphenyl)-5-methyl-3-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride (CID 52974245) is 6-(4-methoxyphenyl)-5-methyl-3-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride.
What is the SMILES notation for 6-(4-methoxyphenyl)-5-methyl-3-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride?
The canonical SMILES for 6-(4-methoxyphenyl)-5-methyl-3-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride is COc1ccc(-c2cc3onc(-c4ccncc4)c3c(=O)n2C)cc1.Cl.
What is the InChIKey of 6-(4-methoxyphenyl)-5-methyl-3-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride?
The InChIKey is HXHQNERSIJXMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3.ClH/c1-22-15(12-3-5-14(24-2)6-4-12)11-16-17(19(22)23)18(21-25-16)13-7-9-20-10-8-13;/h3-11H,1-2H3;1H.
What are the key properties of 6-(4-methoxyphenyl)-5-methyl-3-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride?
6-(4-methoxyphenyl)-5-methyl-3-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride has a molecular weight of 369.81 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-5-methyl-3-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one;hydrochloride is sourced from PubChem (CID 52974245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).