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

C20H16N2O3 — CID 686450

IUPAC4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-2-methylquinolin-3-ol
SMILESCOc1ccc(-c2cnc(-c3c(O)c(C)nc4ccccc34)o2)cc1
InChIInChI=1S/C20H16N2O3/c1-12-19(23)18(15-5-3-4-6-16(15)22-12)20-21-11-17(25-20)13-7-9-14(24-2)10-8-13/h3-11,23H,1-2H3
InChIKeyCSSKAXZUWOYTFA-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.58
Rot. Bonds3

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

4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-2-methylquinolin-3-ol (PubChem CID 686450) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-2-methylquinolin-3-ol.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-2-methylquinolin-3-ol
PubChem CID686450
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-2-methylquinolin-3-ol
SMILESCOc1ccc(-c2cnc(-c3c(O)c(C)nc4ccccc34)o2)cc1
InChIInChI=1S/C20H16N2O3/c1-12-19(23)18(15-5-3-4-6-16(15)22-12)20-21-11-17(25-20)13-7-9-14(24-2)10-8-13/h3-11,23H,1-2H3
InChIKeyCSSKAXZUWOYTFA-UHFFFAOYSA-N
XLogP4.58
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-2-methylquinolin-3-ol?
The IUPAC name of 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-2-methylquinolin-3-ol (CID 686450) is 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-2-methylquinolin-3-ol.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-2-methylquinolin-3-ol?
The canonical SMILES for 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-2-methylquinolin-3-ol is COc1ccc(-c2cnc(-c3c(O)c(C)nc4ccccc34)o2)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-2-methylquinolin-3-ol?
The InChIKey is CSSKAXZUWOYTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-12-19(23)18(15-5-3-4-6-16(15)22-12)20-21-11-17(25-20)13-7-9-14(24-2)10-8-13/h3-11,23H,1-2H3.
What are the key properties of 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-2-methylquinolin-3-ol?
4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-2-methylquinolin-3-ol has a molecular weight of 332.36 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-2-methylquinolin-3-ol is sourced from PubChem (CID 686450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).