2,5-bis(4-methoxyphenyl)-1,3-oxazole;hydrochloride

C17H16ClNO3 — CID 134908639

IUPAC2,5-bis(4-methoxyphenyl)-1,3-oxazole;hydrochloride
SMILESCOc1ccc(-c2cnc(-c3ccc(OC)cc3)o2)cc1.Cl
InChIInChI=1S/C17H15NO3.ClH/c1-19-14-7-3-12(4-8-14)16-11-18-17(21-16)13-5-9-15(20-2)10-6-13;/h3-11H,1-2H3;1H
InChIKeyLUTQWFXGDHLVIF-UHFFFAOYSA-N
MW317.77 g/mol
LogP4.45
Rot. Bonds4

About 2,5-bis(4-methoxyphenyl)-1,3-oxazole;hydrochloride

2,5-bis(4-methoxyphenyl)-1,3-oxazole;hydrochloride (PubChem CID 134908639) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is 2,5-bis(4-methoxyphenyl)-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name2,5-bis(4-methoxyphenyl)-1,3-oxazole;hydrochloride
PubChem CID134908639
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name2,5-bis(4-methoxyphenyl)-1,3-oxazole;hydrochloride
SMILESCOc1ccc(-c2cnc(-c3ccc(OC)cc3)o2)cc1.Cl
InChIInChI=1S/C17H15NO3.ClH/c1-19-14-7-3-12(4-8-14)16-11-18-17(21-16)13-5-9-15(20-2)10-6-13;/h3-11H,1-2H3;1H
InChIKeyLUTQWFXGDHLVIF-UHFFFAOYSA-N
XLogP4.45
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-methoxyphenyl)-1,3-oxazole;hydrochloride?
The IUPAC name of 2,5-bis(4-methoxyphenyl)-1,3-oxazole;hydrochloride (CID 134908639) is 2,5-bis(4-methoxyphenyl)-1,3-oxazole;hydrochloride.
What is the SMILES notation for 2,5-bis(4-methoxyphenyl)-1,3-oxazole;hydrochloride?
The canonical SMILES for 2,5-bis(4-methoxyphenyl)-1,3-oxazole;hydrochloride is COc1ccc(-c2cnc(-c3ccc(OC)cc3)o2)cc1.Cl.
What is the InChIKey of 2,5-bis(4-methoxyphenyl)-1,3-oxazole;hydrochloride?
The InChIKey is LUTQWFXGDHLVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3.ClH/c1-19-14-7-3-12(4-8-14)16-11-18-17(21-16)13-5-9-15(20-2)10-6-13;/h3-11H,1-2H3;1H.
What are the key properties of 2,5-bis(4-methoxyphenyl)-1,3-oxazole;hydrochloride?
2,5-bis(4-methoxyphenyl)-1,3-oxazole;hydrochloride has a molecular weight of 317.77 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-methoxyphenyl)-1,3-oxazole;hydrochloride is sourced from PubChem (CID 134908639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).