4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]fluoren-9-one

C23H15NO3 — CID 3383533

IUPAC4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]fluoren-9-one
SMILESCOc1ccc(-c2cnc(-c3cccc4c3-c3ccccc3C4=O)o2)cc1
InChIInChI=1S/C23H15NO3/c1-26-15-11-9-14(10-12-15)20-13-24-23(27-20)19-8-4-7-18-21(19)16-5-2-3-6-17(16)22(18)25/h2-13H,1H3
InChIKeySVICLWPFAQYZLX-UHFFFAOYSA-N
MW353.38 g/mol
LogP5.23
Rot. Bonds3

About 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]fluoren-9-one

4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]fluoren-9-one (PubChem CID 3383533) has the molecular formula C23H15NO3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]fluoren-9-one.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]fluoren-9-one
PubChem CID3383533
Molecular FormulaC23H15NO3
Molecular Weight353.38 g/mol
Exact Mass353.11
IUPAC Name4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]fluoren-9-one
SMILESCOc1ccc(-c2cnc(-c3cccc4c3-c3ccccc3C4=O)o2)cc1
InChIInChI=1S/C23H15NO3/c1-26-15-11-9-14(10-12-15)20-13-24-23(27-20)19-8-4-7-18-21(19)16-5-2-3-6-17(16)22(18)25/h2-13H,1H3
InChIKeySVICLWPFAQYZLX-UHFFFAOYSA-N
XLogP5.23
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.38
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]fluoren-9-one?
The IUPAC name of 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]fluoren-9-one (CID 3383533) is 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]fluoren-9-one.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]fluoren-9-one?
The canonical SMILES for 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]fluoren-9-one is COc1ccc(-c2cnc(-c3cccc4c3-c3ccccc3C4=O)o2)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]fluoren-9-one?
The InChIKey is SVICLWPFAQYZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO3/c1-26-15-11-9-14(10-12-15)20-13-24-23(27-20)19-8-4-7-18-21(19)16-5-2-3-6-17(16)22(18)25/h2-13H,1H3.
What are the key properties of 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]fluoren-9-one?
4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]fluoren-9-one has a molecular weight of 353.38 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]fluoren-9-one is sourced from PubChem (CID 3383533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).