6-(2,4-dimethoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one

C21H18N2O4 — CID 22015585

IUPAC6-(2,4-dimethoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCOc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)c(OC)c1
InChIInChI=1S/C21H18N2O4/c1-23-16(15-10-9-14(25-2)11-17(15)26-3)12-18-19(21(23)24)20(22-27-18)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyRIBDJXAYIQCEGU-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.88
Rot. Bonds4

About 6-(2,4-dimethoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one

6-(2,4-dimethoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one (PubChem CID 22015585) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 6-(2,4-dimethoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name6-(2,4-dimethoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
PubChem CID22015585
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name6-(2,4-dimethoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCOc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)c(OC)c1
InChIInChI=1S/C21H18N2O4/c1-23-16(15-10-9-14(25-2)11-17(15)26-3)12-18-19(21(23)24)20(22-27-18)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyRIBDJXAYIQCEGU-UHFFFAOYSA-N
XLogP3.88
TPSA66.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(benzo[d][1,3]dioxol-5-yl)-5-methyl-3-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 22015572
6-Methoxy-3-(2-(1-(phenylmethyl)-4-piperidinyl)ethyl)-1,2-benzisoxazole
CID 9798502
3-(2-methoxyphenyl)-5-methyl-6-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 9884036
6-{4-[(2-methoxyethoxy)methyl]phenyl}-5-methyl-3-phenyl-4H,5H-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 9908426
6-(4-methoxyphenyl)-5-methyl-3-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 20304994
3-(4-methoxyphenyl)-5-methyl-6-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 20305061
6-(3-bromo-4-methoxyphenyl)-5-methyl-3-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 22137722
6-(3-methoxyphenyl)-5-methyl-3-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 22137726
6-(3-fluoro-4-methoxyphenyl)-5-methyl-3-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 22137728
3-(3-methoxyphenyl)-5-methyl-6-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 23579328
5-Methyl-3-phenyl-6-[4-(2-propan-2-yloxyethoxymethyl)phenyl]-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 44438317
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butanamide
CID 3242371

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The IUPAC name of 6-(2,4-dimethoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one (CID 22015585) is 6-(2,4-dimethoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 6-(2,4-dimethoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 6-(2,4-dimethoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one is COc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)c(OC)c1.
What is the InChIKey of 6-(2,4-dimethoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The InChIKey is RIBDJXAYIQCEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-23-16(15-10-9-14(25-2)11-17(15)26-3)12-18-19(21(23)24)20(22-27-18)13-7-5-4-6-8-13/h4-12H,1-3H3.
What are the key properties of 6-(2,4-dimethoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
6-(2,4-dimethoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one has a molecular weight of 362.39 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 22015585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).