4-hydroxy-3-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-1-methylquinolin-2-one

C20H16N2O4 — CID 137224385

IUPAC4-hydroxy-3-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-1-methylquinolin-2-one
SMILESCOc1ccc(-c2cc(-c3c(O)c4ccccc4n(C)c3=O)no2)cc1
InChIInChI=1S/C20H16N2O4/c1-22-16-6-4-3-5-14(16)19(23)18(20(22)24)15-11-17(26-21-15)12-7-9-13(25-2)10-8-12/h3-11,23H,1-2H3
InChIKeyWMLCZAKLDUQDEQ-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.57
Rot. Bonds3

About 4-hydroxy-3-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-1-methylquinolin-2-one

4-hydroxy-3-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-1-methylquinolin-2-one (PubChem CID 137224385) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 4-hydroxy-3-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-1-methylquinolin-2-one
PubChem CID137224385
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name4-hydroxy-3-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-1-methylquinolin-2-one
SMILESCOc1ccc(-c2cc(-c3c(O)c4ccccc4n(C)c3=O)no2)cc1
InChIInChI=1S/C20H16N2O4/c1-22-16-6-4-3-5-14(16)19(23)18(20(22)24)15-11-17(26-21-15)12-7-9-13(25-2)10-8-12/h3-11,23H,1-2H3
InChIKeyWMLCZAKLDUQDEQ-UHFFFAOYSA-N
XLogP3.57
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-2-methoxy-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 137178260
3,5-bis(4-methoxyphenyl)-1,2-oxazole
CID 10956920
4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one
CID 54687716
3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole
CID 58157241
3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole
CID 67512216
N-benzyl-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 46173648
5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride
CID 43840572
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 91309550
2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-1-methylindol-3-ol
CID 166008912
2-(4-methoxyphenyl)-9-methylcarbazol-4-ol
CID 155167849
2-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]propanoic acid
CID 3061216
2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3H-quinazolin-4-one
CID 135421568

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-1-methylquinolin-2-one?
The IUPAC name of 4-hydroxy-3-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-1-methylquinolin-2-one (CID 137224385) is 4-hydroxy-3-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-1-methylquinolin-2-one.
What is the SMILES notation for 4-hydroxy-3-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-1-methylquinolin-2-one?
The canonical SMILES for 4-hydroxy-3-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-1-methylquinolin-2-one is COc1ccc(-c2cc(-c3c(O)c4ccccc4n(C)c3=O)no2)cc1.
What is the InChIKey of 4-hydroxy-3-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-1-methylquinolin-2-one?
The InChIKey is WMLCZAKLDUQDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-22-16-6-4-3-5-14(16)19(23)18(20(22)24)15-11-17(26-21-15)12-7-9-13(25-2)10-8-12/h3-11,23H,1-2H3.
What are the key properties of 4-hydroxy-3-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-1-methylquinolin-2-one?
4-hydroxy-3-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-1-methylquinolin-2-one has a molecular weight of 348.36 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-1-methylquinolin-2-one is sourced from PubChem (CID 137224385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).