5,5-bis(4-methoxyphenyl)-2-propyl-4H-1,3-oxazole

C20H23NO3 — CID 141059352

IUPAC5,5-bis(4-methoxyphenyl)-2-propyl-4H-1,3-oxazole
SMILESCCCC1=NCC(c2ccc(OC)cc2)(c2ccc(OC)cc2)O1
InChIInChI=1S/C20H23NO3/c1-4-5-19-21-14-20(24-19,15-6-10-17(22-2)11-7-15)16-8-12-18(23-3)13-9-16/h6-13H,4-5,14H2,1-3H3
InChIKeyYGZDNLPWAXLHAJ-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.18
Rot. Bonds6

About 5,5-bis(4-methoxyphenyl)-2-propyl-4H-1,3-oxazole

5,5-bis(4-methoxyphenyl)-2-propyl-4H-1,3-oxazole (PubChem CID 141059352) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5,5-bis(4-methoxyphenyl)-2-propyl-4H-1,3-oxazole.

Molecular Properties

Compound Name5,5-bis(4-methoxyphenyl)-2-propyl-4H-1,3-oxazole
PubChem CID141059352
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name5,5-bis(4-methoxyphenyl)-2-propyl-4H-1,3-oxazole
SMILESCCCC1=NCC(c2ccc(OC)cc2)(c2ccc(OC)cc2)O1
InChIInChI=1S/C20H23NO3/c1-4-5-19-21-14-20(24-19,15-6-10-17(22-2)11-7-15)16-8-12-18(23-3)13-9-16/h6-13H,4-5,14H2,1-3H3
InChIKeyYGZDNLPWAXLHAJ-UHFFFAOYSA-N
XLogP4.18
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-methoxyphenyl)-2-propyl-4H-1,3-oxazole?
The IUPAC name of 5,5-bis(4-methoxyphenyl)-2-propyl-4H-1,3-oxazole (CID 141059352) is 5,5-bis(4-methoxyphenyl)-2-propyl-4H-1,3-oxazole.
What is the SMILES notation for 5,5-bis(4-methoxyphenyl)-2-propyl-4H-1,3-oxazole?
The canonical SMILES for 5,5-bis(4-methoxyphenyl)-2-propyl-4H-1,3-oxazole is CCCC1=NCC(c2ccc(OC)cc2)(c2ccc(OC)cc2)O1.
What is the InChIKey of 5,5-bis(4-methoxyphenyl)-2-propyl-4H-1,3-oxazole?
The InChIKey is YGZDNLPWAXLHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-4-5-19-21-14-20(24-19,15-6-10-17(22-2)11-7-15)16-8-12-18(23-3)13-9-16/h6-13H,4-5,14H2,1-3H3.
What are the key properties of 5,5-bis(4-methoxyphenyl)-2-propyl-4H-1,3-oxazole?
5,5-bis(4-methoxyphenyl)-2-propyl-4H-1,3-oxazole has a molecular weight of 325.41 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-methoxyphenyl)-2-propyl-4H-1,3-oxazole is sourced from PubChem (CID 141059352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).