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

C19H19NO5 — CID 91309550

IUPAC3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)on2)cc1
InChIInChI=1S/C19H19NO5/c1-21-14-7-5-12(6-8-14)15-11-16(25-20-15)13-9-17(22-2)19(24-4)18(10-13)23-3/h5-11H,1-4H3
InChIKeyBXVRVBJOOIXPMT-UHFFFAOYSA-N
MW341.36 g/mol
LogP4.04
Rot. Bonds6

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

3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole (PubChem CID 91309550) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
PubChem CID91309550
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)on2)cc1
InChIInChI=1S/C19H19NO5/c1-21-14-7-5-12(6-8-14)15-11-16(25-20-15)13-9-17(22-2)19(24-4)18(10-13)23-3/h5-11H,1-4H3
InChIKeyBXVRVBJOOIXPMT-UHFFFAOYSA-N
XLogP4.04
TPSA62.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-iodophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 90718317
3,5-bis(4-methoxyphenyl)-1,2-oxazole
CID 10956920
2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol
CID 11337247
3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 91549721
3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole
CID 58157241
N,N-dimethyl-4-[5-(2,3,5-trimethoxyphenyl)-1,2-oxazol-3-yl]aniline
CID 91182234
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole
CID 91024089
3-(3-nitrophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 169224083
5-(1H-indol-5-yl)-3-(4-methoxyphenyl)-1,2-oxazole
CID 71460051
2-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]propanoic acid
CID 3061216
3-cyclohepta-1,3,4,6-tetraen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 91329198
4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine
CID 46227182

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole (CID 91309550) is 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole is COc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)on2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The InChIKey is BXVRVBJOOIXPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-21-14-7-5-12(6-8-14)15-11-16(25-20-15)13-9-17(22-2)19(24-4)18(10-13)23-3/h5-11H,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole has a molecular weight of 341.36 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 91309550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).