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

C17H15NO3 — CID 10956920

IUPAC3,5-bis(4-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)on2)cc1
InChIInChI=1S/C17H15NO3/c1-19-14-7-3-12(4-8-14)16-11-17(21-18-16)13-5-9-15(20-2)10-6-13/h3-11H,1-2H3
InChIKeyOFUJZKSPFSYMPL-UHFFFAOYSA-N
MW281.31 g/mol
LogP4.03
Rot. Bonds4

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

3,5-bis(4-methoxyphenyl)-1,2-oxazole (PubChem CID 10956920) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3,5-bis(4-methoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-bis(4-methoxyphenyl)-1,2-oxazole
PubChem CID10956920
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name3,5-bis(4-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)on2)cc1
InChIInChI=1S/C17H15NO3/c1-19-14-7-3-12(4-8-14)16-11-17(21-18-16)13-5-9-15(20-2)10-6-13/h3-11H,1-2H3
InChIKeyOFUJZKSPFSYMPL-UHFFFAOYSA-N
XLogP4.03
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Mofezolac
CID 4237
Disoxaril
CID 55717
3,5-Diphenylisoxazole
CID 137292
5-(4-Methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 1090978
Win 52035
CID 1786
Win 56590
CID 3082640
Isoxazole, 5-(4-methoxyphenyl)-3-phenyl-
CID 279122
Methyl 5-(4-methoxyphenyl)-3-isoxazolecarboxylate
CID 752781
5-(4-Methoxyphenyl)isoxazole
CID 2736756
Isoxazole, 5-(7-(4-(4,5-dihydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl-
CID 1790
Compound III(S)
CID 441049
Isoxazole, 5-(7-(4-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl-
CID 515336

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-methoxyphenyl)-1,2-oxazole?
The IUPAC name of 3,5-bis(4-methoxyphenyl)-1,2-oxazole (CID 10956920) is 3,5-bis(4-methoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 3,5-bis(4-methoxyphenyl)-1,2-oxazole?
The canonical SMILES for 3,5-bis(4-methoxyphenyl)-1,2-oxazole is COc1ccc(-c2cc(-c3ccc(OC)cc3)on2)cc1.
What is the InChIKey of 3,5-bis(4-methoxyphenyl)-1,2-oxazole?
The InChIKey is OFUJZKSPFSYMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-19-14-7-3-12(4-8-14)16-11-17(21-18-16)13-5-9-15(20-2)10-6-13/h3-11H,1-2H3.
What are the key properties of 3,5-bis(4-methoxyphenyl)-1,2-oxazole?
3,5-bis(4-methoxyphenyl)-1,2-oxazole has a molecular weight of 281.31 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-methoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 10956920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).